(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid

C10H20N2O4 — CID 54372856

IUPAC(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5(2)7(11)10(15)16-6(3)8(12)9(13)14/h5-8H,4,11-12H2,1-3H3,(H,13,14)/t5-,6+,7-,8-/m0/s1
InChIKeyUUKZOJWIRCCKAB-YWIQKCBGSA-N
MW232.28 g/mol
LogP-0.30
Rot. Bonds6

About (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid

(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid (PubChem CID 54372856) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
PubChem CID54372856
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
SMILESCC[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5(2)7(11)10(15)16-6(3)8(12)9(13)14/h5-8H,4,11-12H2,1-3H3,(H,13,14)/t5-,6+,7-,8-/m0/s1
InChIKeyUUKZOJWIRCCKAB-YWIQKCBGSA-N
XLogP-0.30
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic 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,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
CID 87087959
lithium;(2S,3S)-2-amino-3-methylpentanoic acid;hydride
CID 173147542
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid (CID 54372856) is (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid is CC[C@H](C)[C@H](N)C(=O)O[C@H](C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid?
The InChIKey is UUKZOJWIRCCKAB-YWIQKCBGSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5(2)7(11)10(15)16-6(3)8(12)9(13)14/h5-8H,4,11-12H2,1-3H3,(H,13,14)/t5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid?
(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid is sourced from PubChem (CID 54372856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).