2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 64815568

IUPAC2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C12H20N2O4/c15-7-6-14(8-4-5-8)12(18)13-10-3-1-2-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyFLCPJBQNKPOMNT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.41
Rot. Bonds5

About 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64815568) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64815568
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C12H20N2O4/c15-7-6-14(8-4-5-8)12(18)13-10-3-1-2-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17)
InChIKeyFLCPJBQNKPOMNT-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816508
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
CID 96565801
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 96565800
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 102865451
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64815568) is 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FLCPJBQNKPOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-7-6-14(8-4-5-8)12(18)13-10-3-1-2-9(10)11(16)17/h8-10,15H,1-7H2,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).