(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid

C8H14N2O5 — CID 57233840

IUPAC(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid
SMILESNCCCC(=O)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N2O5/c9-3-1-2-6(11)8(14)15-4-5(10)7(12)13/h5H,1-4,9-10H2,(H,12,13)/t5-/m0/s1
InChIKeyODHGAWSNPDALNO-YFKPBYRVSA-N
MW218.21 g/mol
LogP-1.75
Rot. Bonds7

About (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid

(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid (PubChem CID 57233840) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid
PubChem CID57233840
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid
SMILESNCCCC(=O)C(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N2O5/c9-3-1-2-6(11)8(14)15-4-5(10)7(12)13/h5H,1-4,9-10H2,(H,12,13)/t5-/m0/s1
InChIKeyODHGAWSNPDALNO-YFKPBYRVSA-N
XLogP-1.75
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic 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-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
6-amino-2-oxohexanoic acid;(2S)-2,6-diaminohexanoic acid
CID 159223859
methyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983642
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
zinc 2,5-diaminopentanoic acid
CID 56838280
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid (CID 57233840) is (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid is NCCCC(=O)C(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid?
The InChIKey is ODHGAWSNPDALNO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N2O5/c9-3-1-2-6(11)8(14)15-4-5(10)7(12)13/h5H,1-4,9-10H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid?
(2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-amino-2-oxopentanoyl)oxypropanoic acid is sourced from PubChem (CID 57233840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).