cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H20N2O4 — CID 120678843

IUPACcis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H20N2O4/c1-8-13-11(3-2-4-12(13)19)18-14(8)15(20)17-10-6-5-9(7-10)16(21)22/h9-10,18H,2-7H2,1H3,(H,17,20)(H,21,22)/t9-,10+/m1/s1
InChIKeyLTNOEFHXLNPGJY-ZJUUUORDSA-N
MW304.35 g/mol
LogP1.83
Rot. Bonds3

About cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678843) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678843
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namecis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C16H20N2O4/c1-8-13-11(3-2-4-12(13)19)18-14(8)15(20)17-10-6-5-9(7-10)16(21)22/h9-10,18H,2-7H2,1H3,(H,17,20)(H,21,22)/t9-,10+/m1/s1
InChIKeyLTNOEFHXLNPGJY-ZJUUUORDSA-N
XLogP1.83
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 166191316
4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230371
N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 127264725
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
2-[(4S,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 100904909
3-methyl-2-[(4S)-4-methylazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 95249705
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
CID 35016480
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091
3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55720483
2-[(3S,5R)-3-amino-5-hydroxypiperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 146039153
2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119206034

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678843) is cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LTNOEFHXLNPGJY-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-8-13-11(3-2-4-12(13)19)18-14(8)15(20)17-10-6-5-9(7-10)16(21)22/h9-10,18H,2-7H2,1H3,(H,17,20)(H,21,22)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).