2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid

C14H19N3O3 — CID 107340676

IUPAC2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-4-12(9)17-14(20)16-11-6-5-10(15-8-11)7-13(18)19/h5-6,8-9,12H,2-4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFNXWMNAXNQBQTD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds4

About 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid

2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340676) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340676
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c1-9-3-2-4-12(9)17-14(20)16-11-6-5-10(15-8-11)7-13(18)19/h5-6,8-9,12H,2-4,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFNXWMNAXNQBQTD-UHFFFAOYSA-N
XLogP2.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340758
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
2-(5-amino-2-pyridinyl)-N-(2-methylcycloheptyl)acetamide
CID 107339059
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
CID 107274081
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107340676) is 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid is CC1CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is FNXWMNAXNQBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-2-4-12(9)17-14(20)16-11-6-5-10(15-8-11)7-13(18)19/h5-6,8-9,12H,2-4,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).