(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid

C29H38N4O3 — CID 174340033

IUPAC(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(CCCc2ccc3c(n2)NCCC3)C1)c1cccc2c1CCC2
InChIInChI=1S/C29H38N4O3/c34-27(35)18-26(25-12-2-7-20-6-1-11-24(20)25)32-29(36)22-9-4-16-33(19-22)17-5-10-23-14-13-21-8-3-15-30-28(21)31-23/h2,7,12-14,22,26H,1,3-6,8-11,15-19H2,(H,30,31)(H,32,36)(H,34,35)/t22-,26-/m1/s1
InChIKeyBSNDHMLVBNHIDX-ATIYNZHBSA-N
MW490.65 g/mol
LogP3.91
Rot. Bonds9

About (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid

(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 174340033) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
PubChem CID174340033
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(CCCc2ccc3c(n2)NCCC3)C1)c1cccc2c1CCC2
InChIInChI=1S/C29H38N4O3/c34-27(35)18-26(25-12-2-7-20-6-1-11-24(20)25)32-29(36)22-9-4-16-33(19-22)17-5-10-23-14-13-21-8-3-15-30-28(21)31-23/h2,7,12-14,22,26H,1,3-6,8-11,15-19H2,(H,30,31)(H,32,36)(H,34,35)/t22-,26-/m1/s1
InChIKeyBSNDHMLVBNHIDX-ATIYNZHBSA-N
XLogP3.91
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 174207189
(3S)-3-(3-phenylphenyl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121527
3-(2,3-dihydro-1H-inden-4-yl)-3-formamidopropanoic acid;7-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 165121202
(3S)-3-(3-pyrrolidin-1-ylphenyl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121708
3-[3-(1,4-dimethylpyrazol-5-yl)phenyl]-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid;hydrochloride
CID 175526482
(3S)-3-quinolin-3-yl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121855
3-(2,3-dihydro-1-benzofuran-5-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid;hydrochloride
CID 165121362
(3S)-3-[3-(3-methylpyrazol-1-yl)phenyl]-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121492
2-naphthalen-1-yl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121397
(2S)-2-(oxane-4-carbonylamino)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121857
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121460
2-(naphthalen-1-ylamino)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 174202625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid (CID 174340033) is (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid is O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(CCCc2ccc3c(n2)NCCC3)C1)c1cccc2c1CCC2.
What is the InChIKey of (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is BSNDHMLVBNHIDX-ATIYNZHBSA-N. The full InChI is InChI=1S/C29H38N4O3/c34-27(35)18-26(25-12-2-7-20-6-1-11-24(20)25)32-29(36)22-9-4-16-33(19-22)17-5-10-23-14-13-21-8-3-15-30-28(21)31-23/h2,7,12-14,22,26H,1,3-6,8-11,15-19H2,(H,30,31)(H,32,36)(H,34,35)/t22-,26-/m1/s1.
What are the key properties of (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid?
(3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 490.65 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dihydro-1H-inden-4-yl)-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 174340033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).