4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

C12H21NO3 — CID 107175538

IUPAC4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CCCC1C
InChIInChI=1S/C12H21NO3/c1-8-4-3-5-10(8)12(16)13-9(2)6-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyZHMVDNDUYMWQGQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds5

About 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid

4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (PubChem CID 107175538) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
PubChem CID107175538
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CCCC1C
InChIInChI=1S/C12H21NO3/c1-8-4-3-5-10(8)12(16)13-9(2)6-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyZHMVDNDUYMWQGQ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(acetamidomethyl)-5-methylhexanoic acid
CID 57734488
(2S)-2-(cyclopentylformamido)-4-methylpentanoic acid
CID 29901387
2-[(Isopropylamino)carbonyl]cyclohexanecarboxylic acid
CID 2788077
6-((2-Ethyl-1-oxohexyl)amino)hexanoic acid
CID 173331
(3S)-5-methyl-3-(pentanamidomethyl)hexanoic acid
CID 65493468
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-(Cyclopentylcarbamoyl)cyclohexanecarboxylic acid
CID 2933637
(1S,3R)-3-acetamidocyclohexane-1-carboxylic acid
CID 95375248
(2S)-2-(cyclopentanecarbonylamino)heptanoic acid
CID 97337446
3-Acetamido-2-propylpentanoic acid
CID 71370702
N-cyclohexyl-4-methylpimelamic acid
CID 129804538
2-[(3,3,3-Trifluoropropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 65897996

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid (CID 107175538) is 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)C1CCCC1C.
What is the InChIKey of 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
The InChIKey is ZHMVDNDUYMWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-4-3-5-10(8)12(16)13-9(2)6-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid?
4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 107175538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).