(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C21H21NO3 — CID 66798644

IUPAC(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C21H21NO3/c23-20(17-7-3-5-13-4-1-2-6-16(13)17)22-19-11-10-14-8-9-15(21(24)25)12-18(14)19/h1-2,4,6,8-9,12,17,19H,3,5,7,10-11H2,(H,22,23)(H,24,25)/t17-,19+/m0/s1
InChIKeyAVAZFSXQAYXZGJ-PKOBYXMFSA-N
MW335.40 g/mol
LogP3.61
Rot. Bonds3

About (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66798644) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66798644
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C21H21NO3/c23-20(17-7-3-5-13-4-1-2-6-16(13)17)22-19-11-10-14-8-9-15(21(24)25)12-18(14)19/h1-2,4,6,8-9,12,17,19H,3,5,7,10-11H2,(H,22,23)(H,24,25)/t17-,19+/m0/s1
InChIKeyAVAZFSXQAYXZGJ-PKOBYXMFSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,3-dihydro-1H-indene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 77170120
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
(1S)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 97017102
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71898533
(1R)-N-(2,6-dioxopiperidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142535910
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62361076
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66798644) is (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCc3ccccc31)CC2.
What is the InChIKey of (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is AVAZFSXQAYXZGJ-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(17-7-3-5-13-4-1-2-6-16(13)17)22-19-11-10-14-8-9-15(21(24)25)12-18(14)19/h1-2,4,6,8-9,12,17,19H,3,5,7,10-11H2,(H,22,23)(H,24,25)/t17-,19+/m0/s1.
What are the key properties of (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66798644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).