(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide

C6H12N2O4 — CID 56620684

IUPAC(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
SMILESN[C@@H](CO)C(=O)N[C@H](C=O)CO
InChIInChI=1S/C6H12N2O4/c7-5(3-11)6(12)8-4(1-9)2-10/h1,4-5,10-11H,2-3,7H2,(H,8,12)/t4-,5+/m1/s1
InChIKeyJXTYRDJTLWYJMU-UHNVWZDZSA-N
MW176.17 g/mol
LogP-3.02
Rot. Bonds5

About (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide

(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide (PubChem CID 56620684) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
PubChem CID56620684
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
SMILESN[C@@H](CO)C(=O)N[C@H](C=O)CO
InChIInChI=1S/C6H12N2O4/c7-5(3-11)6(12)8-4(1-9)2-10/h1,4-5,10-11H,2-3,7H2,(H,8,12)/t4-,5+/m1/s1
InChIKeyJXTYRDJTLWYJMU-UHNVWZDZSA-N
XLogP-3.02
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-3.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
(2S)-2-amino-3-hydroxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 52914805
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
CID 123738859
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
CID 87430272
2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 86277914
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide (CID 56620684) is (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide is N[C@@H](CO)C(=O)N[C@H](C=O)CO.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide?
The InChIKey is JXTYRDJTLWYJMU-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-5(3-11)6(12)8-4(1-9)2-10/h1,4-5,10-11H,2-3,7H2,(H,8,12)/t4-,5+/m1/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide?
(2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide has a molecular weight of 176.17 g/mol, XLogP of -3.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide is sourced from PubChem (CID 56620684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).