2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide

C7H14N2O3 — CID 155415665

IUPAC2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
SMILESCC(=O)[C@@H](NC(=O)CN)[C@@H](C)O
InChIInChI=1S/C7H14N2O3/c1-4(10)7(5(2)11)9-6(12)3-8/h4,7,10H,3,8H2,1-2H3,(H,9,12)/t4-,7+/m1/s1
InChIKeyGJVBLFAPVVHZGJ-FBCQKBJTSA-N
MW174.20 g/mol
LogP-1.60
Rot. Bonds4

About 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide

2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide (PubChem CID 155415665) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
PubChem CID155415665
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
SMILESCC(=O)[C@@H](NC(=O)CN)[C@@H](C)O
InChIInChI=1S/C7H14N2O3/c1-4(10)7(5(2)11)9-6(12)3-8/h4,7,10H,3,8H2,1-2H3,(H,9,12)/t4-,7+/m1/s1
InChIKeyGJVBLFAPVVHZGJ-FBCQKBJTSA-N
XLogP-1.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]hexanamide
CID 163435862
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
CID 18221143
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18491430
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 18491369
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 18221153
2-amino-N-[(3S)-2-hydroxypentan-3-yl]acetamide
CID 89042363
(2S)-1-[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide
CID 175780642
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
3-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-(1-carboxyethylamino)-4-oxobutanoic acid
CID 18491096
3-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18491103
(2S,3R)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]butanoyl]amino]-3-hydroxybutanoic acid
CID 175763034
(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 145455650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide (CID 155415665) is 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide is CC(=O)[C@@H](NC(=O)CN)[C@@H](C)O.
What is the InChIKey of 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide?
The InChIKey is GJVBLFAPVVHZGJ-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(10)7(5(2)11)9-6(12)3-8/h4,7,10H,3,8H2,1-2H3,(H,9,12)/t4-,7+/m1/s1.
What are the key properties of 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide?
2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide has a molecular weight of 174.20 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide is sourced from PubChem (CID 155415665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).