4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid

C14H19N3O3 — CID 81065817

IUPAC4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(CNc1nc2c(cc1C(N)=O)CCC2)CC(=O)O
InChIInChI=1S/C14H19N3O3/c1-8(5-12(18)19)7-16-14-10(13(15)20)6-9-3-2-4-11(9)17-14/h6,8H,2-5,7H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyQNTJCKDVGSQEDK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.19
Rot. Bonds6

About 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid

4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid (PubChem CID 81065817) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
PubChem CID81065817
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(CNc1nc2c(cc1C(N)=O)CCC2)CC(=O)O
InChIInChI=1S/C14H19N3O3/c1-8(5-12(18)19)7-16-14-10(13(15)20)6-9-3-2-4-11(9)17-14/h6,8H,2-5,7H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyQNTJCKDVGSQEDK-UHFFFAOYSA-N
XLogP1.19
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[(3S)-1-[6-butyl-5-(cyclohexylcarbamoyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830684
2-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 56752714
2-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72840647
2-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72897627
2-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72922026
N-methyl-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520492
N,N-dimethyl-2-(propan-2-ylamino)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520518
N,7-dimethyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
CID 97520568
2-(cyclopropylmethylamino)-N-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxamide
CID 97520630
2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70756182
2-[(3R*,4S*)-3-amino-4-propylpyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 72911626
2-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 96572653

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid (CID 81065817) is 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid is CC(CNc1nc2c(cc1C(N)=O)CCC2)CC(=O)O.
What is the InChIKey of 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is QNTJCKDVGSQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(5-12(18)19)7-16-14-10(13(15)20)6-9-3-2-4-11(9)17-14/h6,8H,2-5,7H2,1H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid?
4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 81065817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).