(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid

C10H20N2O4 — CID 107566134

IUPAC(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NCCCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-5-8(9(13)14)12-10(15)11-6-4-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1
InChIKeyPUWAEDJVFCYEQL-QMMMGPOBSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds8

About (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid

(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid (PubChem CID 107566134) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
PubChem CID107566134
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)NCCCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-5-8(9(13)14)12-10(15)11-6-4-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1
InChIKeyPUWAEDJVFCYEQL-QMMMGPOBSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(3-methoxypropylcarbamoylamino)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

2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
(2R)-2-(3-methylsulfanylpropylcarbamoylamino)pentanoic acid
CID 107567041
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid (CID 107566134) is (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)NCCCOC)C(=O)O.
What is the InChIKey of (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid?
The InChIKey is PUWAEDJVFCYEQL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-5-8(9(13)14)12-10(15)11-6-4-7-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid?
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).