(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C21H17NO3 — CID 66799120

IUPAC(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C21H17NO3/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/h1-9,12,19H,10-11H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeySYHDYZYWNSYKDP-LJQANCHMSA-N
MW331.37 g/mol
LogP3.96
Rot. Bonds3

About (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66799120) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66799120
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[C@H](NC(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C21H17NO3/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/h1-9,12,19H,10-11H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeySYHDYZYWNSYKDP-LJQANCHMSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
8-[(8-chloroisoquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167753842
methyl 3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67546137
(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505366
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
N-[(3S)-2,6-dioxooxan-3-yl]naphthalene-1-carboxamide
CID 54389297
N-(4-methylidene-2-oxocyclohexyl)naphthalene-1-carboxamide
CID 160711449

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66799120) is (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is SYHDYZYWNSYKDP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17NO3/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/h1-9,12,19H,10-11H2,(H,22,23)(H,24,25)/t19-/m1/s1.
What are the key properties of (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).