3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO5 — CID 103550597

IUPAC3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(NC(=O)C1CCC(C(=O)O)C1)C(=O)O
InChIInChI=1S/C13H21NO5/c1-7(2)5-10(13(18)19)14-11(15)8-3-4-9(6-8)12(16)17/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKNNHDFAWSAQMCJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.10
Rot. Bonds6

About 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550597) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550597
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(NC(=O)C1CCC(C(=O)O)C1)C(=O)O
InChIInChI=1S/C13H21NO5/c1-7(2)5-10(13(18)19)14-11(15)8-3-4-9(6-8)12(16)17/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKNNHDFAWSAQMCJ-UHFFFAOYSA-N
XLogP1.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654
4-methyl-2-[(2-methyloxane-4-carbonyl)amino]pentanoic acid
CID 120516078
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
(2R)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79527272
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 79526964
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353310
(2S)-4-methyl-2-[[(1R,2S)-2-methylcyclohexanecarbonyl]amino]pentanoic acid
CID 40965426

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550597) is 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)CC(NC(=O)C1CCC(C(=O)O)C1)C(=O)O.
What is the InChIKey of 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is KNNHDFAWSAQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-7(2)5-10(13(18)19)14-11(15)8-3-4-9(6-8)12(16)17/h7-10H,3-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).