2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid

C15H21N3O3 — CID 107340758

IUPAC2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1(C)CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-15(2)7-3-4-12(15)18-14(21)17-11-6-5-10(16-9-11)8-13(19)20/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyYOMNFLAGPZHQJP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.41
Rot. Bonds4

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

2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid (PubChem CID 107340758) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
PubChem CID107340758
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
SMILESCC1(C)CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-15(2)7-3-4-12(15)18-14(21)17-11-6-5-10(16-9-11)8-13(19)20/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyYOMNFLAGPZHQJP-UHFFFAOYSA-N
XLogP2.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.41
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-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79872586
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid (CID 107340758) is 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid is CC1(C)CCCC1NC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
The InChIKey is YOMNFLAGPZHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)7-3-4-12(15)18-14(21)17-11-6-5-10(16-9-11)8-13(19)20/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid?
2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,2-dimethylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).