(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid

C18H24N2O3 — CID 124703488

IUPAC(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCN1CCC[C@@H]1C(=O)O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H24N2O3/c21-17(10-12-20-11-4-9-16(20)18(22)23)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15-16H,3-4,6,8-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1
InChIKeyUTPVRYAYGLDDSD-HZPDHXFCSA-N
MW316.40 g/mol
LogP2.12
Rot. Bonds5

About (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid (PubChem CID 124703488) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
PubChem CID124703488
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCN1CCC[C@@H]1C(=O)O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H24N2O3/c21-17(10-12-20-11-4-9-16(20)18(22)23)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15-16H,3-4,6,8-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1
InChIKeyUTPVRYAYGLDDSD-HZPDHXFCSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11931274
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
(3S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 94163114
(3R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-3-carboxamide
CID 100840651
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid (CID 124703488) is (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid is O=C(CCN1CCC[C@@H]1C(=O)O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UTPVRYAYGLDDSD-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(10-12-20-11-4-9-16(20)18(22)23)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-2,5,7,15-16H,3-4,6,8-12H2,(H,19,21)(H,22,23)/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 124703488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).