(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid

C13H24N2O4 — CID 107567792

IUPAC(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CCCO)C1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-11(12(17)18)14-13(19)15(8-4-9-16)10-6-3-7-10/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyQKIZQPFUBVWDEL-LLVKDONJSA-N
MW272.34 g/mol
LogP1.19
Rot. Bonds8

About (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid (PubChem CID 107567792) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
PubChem CID107567792
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CCCO)C1CCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-5-11(12(17)18)14-13(19)15(8-4-9-16)10-6-3-7-10/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m1/s1
InChIKeyQKIZQPFUBVWDEL-LLVKDONJSA-N
XLogP1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61228339
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[butyl(cyclopropyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 55076340
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid (CID 107567792) is (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(CCCO)C1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid?
The InChIKey is QKIZQPFUBVWDEL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-5-11(12(17)18)14-13(19)15(8-4-9-16)10-6-3-7-10/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).