1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid

C10H18N2O3 — CID 16789416

IUPAC1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h2-7H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDAQLXHCECGNPGR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.09
Rot. Bonds4

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

1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 16789416) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID16789416
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h2-7H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyDAQLXHCECGNPGR-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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-(propylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 16789416) is 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DAQLXHCECGNPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7-11-9(15)12-10(8(13)14)5-3-4-6-10/h2-7H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).