(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid

C11H19N3O5 — CID 107829067

IUPAC(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(NCCNC(=O)C1CC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H19N3O5/c15-6-3-8(10(17)18)14-11(19)13-5-4-12-9(16)7-1-2-7/h7-8,15H,1-6H2,(H,12,16)(H,17,18)(H2,13,14,19)/t8-/m0/s1
InChIKeyIHVYCZRCQLTRDK-QMMMGPOBSA-N
MW273.29 g/mol
LogP-1.35
Rot. Bonds8

About (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid

(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107829067) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
PubChem CID107829067
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(NCCNC(=O)C1CC1)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H19N3O5/c15-6-3-8(10(17)18)14-11(19)13-5-4-12-9(16)7-1-2-7/h7-8,15H,1-6H2,(H,12,16)(H,17,18)(H2,13,14,19)/t8-/m0/s1
InChIKeyIHVYCZRCQLTRDK-QMMMGPOBSA-N
XLogP-1.35
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic 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]pentanedioic acid
CID 104865051
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]butanedioic acid
CID 104865053
(2R)-2-(cyclobutanecarbonylamino)-4-hydroxybutanoic acid
CID 107823219
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
(2R)-4-hydroxy-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)butanoic acid
CID 114005613
(2S)-2-(but-3-enylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828972
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
2-(hex-5-ynylcarbamoylamino)-4-hydroxybutanoic acid
CID 106216120
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid (CID 107829067) is (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid is O=C(NCCNC(=O)C1CC1)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is IHVYCZRCQLTRDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O5/c15-6-3-8(10(17)18)14-11(19)13-5-4-12-9(16)7-1-2-7/h7-8,15H,1-6H2,(H,12,16)(H,17,18)(H2,13,14,19)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid?
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.35, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107829067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).