(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid

C12H21N3O4 — CID 107567632

IUPAC(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-3-9(11(17)18)15-12(19)14-7-6-13-10(16)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyHCULQJDUOZGTSU-SECBINFHSA-N
MW271.32 g/mol
LogP0.07
Rot. Bonds8

About (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid

(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid (PubChem CID 107567632) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
PubChem CID107567632
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCNC(=O)C1CC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-3-9(11(17)18)15-12(19)14-7-6-13-10(16)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyHCULQJDUOZGTSU-SECBINFHSA-N
XLogP0.07
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]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-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107829067
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanedioic acid
CID 104865051
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid (CID 107567632) is (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCCNC(=O)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid?
The InChIKey is HCULQJDUOZGTSU-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-3-9(11(17)18)15-12(19)14-7-6-13-10(16)8-4-5-8/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.07, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).