3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 66030439

IUPAC3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)NC1CCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-8-16(12-6-7-12)14(19)15-11-5-4-10(9-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyBDCXJCCAVJTRCT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.21
Rot. Bonds6

About 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030439) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030439
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCCCN(C(=O)NC1CCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-8-16(12-6-7-12)14(19)15-11-5-4-10(9-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyBDCXJCCAVJTRCT-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
1-butyl-1,3-dicyclopropylurea
CID 115579407
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
cis-(1R,3S)-3-[[ethyl(piperidin-4-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319383
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319531

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 66030439) is 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCCCN(C(=O)NC1CCC(C(=O)O)C1)C1CC1.
What is the InChIKey of 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BDCXJCCAVJTRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-8-16(12-6-7-12)14(19)15-11-5-4-10(9-11)13(17)18/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).