1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 16787062

IUPAC1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3/c1-2-3-8-12-10(16)13-11(9(14)15)6-4-5-7-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeySVDKIKOREPMTCQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.48
Rot. Bonds5

About 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 16787062) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID16787062
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H20N2O3/c1-2-3-8-12-10(16)13-11(9(14)15)6-4-5-7-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeySVDKIKOREPMTCQ-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoic acid
CID 664805
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
1-Ureidocyclopentanecarboxylic acid
CID 234095
1-((Ethylcarbamoyl)amino)cyclopentane-1-carboxylic acid
CID 16790939
Cyclopentanecarboxylic acid, 1-[2-(2-aminoacetamido)acetamido]-, hydrate
CID 254987
N-(cyclohexylcarbamoyl)leucine
CID 4208059
1-{[(Propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid
CID 16789773
2-Isopropyl-1-(methylcarbamoylamino)cyclopropanecarboxylic acid
CID 399301
(2S)-6-amino-2-(methylcarbamoylamino)hexanoic acid
CID 20593376
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoic acid
CID 946421

Frequently Asked Questions

What is the IUPAC name of 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 16787062) is 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SVDKIKOREPMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-8-12-10(16)13-11(9(14)15)6-4-5-7-11/h2-8H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16787062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).