(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide

C6H13N3O3 — CID 87899755

IUPAC(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](NC(=O)CN)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-3(10)5(6(8)12)9-4(11)2-7/h3,5,10H,2,7H2,1H3,(H2,8,12)(H,9,11)/t3-,5+/m1/s1
InChIKeyHGVCDNFBEPAQLC-WUJLRWPWSA-N
MW175.19 g/mol
LogP-2.70
Rot. Bonds4

About (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide

(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide (PubChem CID 87899755) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide
PubChem CID87899755
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](NC(=O)CN)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-3(10)5(6(8)12)9-4(11)2-7/h3,5,10H,2,7H2,1H3,(H2,8,12)(H,9,11)/t3-,5+/m1/s1
InChIKeyHGVCDNFBEPAQLC-WUJLRWPWSA-N
XLogP-2.70
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide (CID 87899755) is (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide is C[C@@H](O)[C@H](NC(=O)CN)C(N)=O.
What is the InChIKey of (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide?
The InChIKey is HGVCDNFBEPAQLC-WUJLRWPWSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3(10)5(6(8)12)9-4(11)2-7/h3,5,10H,2,7H2,1H3,(H2,8,12)(H,9,11)/t3-,5+/m1/s1.
What are the key properties of (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide?
(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide has a molecular weight of 175.19 g/mol, XLogP of -2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanamide is sourced from PubChem (CID 87899755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).