(3S)-3-amino-4-hydroxybutan-2-one

C8H18N2O4 — CID 91337493

IUPAC(3S)-3-amino-4-hydroxybutan-2-one
SMILESCC(=O)[C@@H](N)CO.CC(=O)[C@@H](N)CO
InChIInChI=1S/2C4H9NO2/c2*1-3(7)4(5)2-6/h2*4,6H,2,5H2,1H3/t2*4-/m00/s1
InChIKeyMMLZHULYZPDXIL-RZVRUWJTSA-N
MW206.24 g/mol
LogP-2.21
Rot. Bonds4

About (3S)-3-amino-4-hydroxybutan-2-one

(3S)-3-amino-4-hydroxybutan-2-one (PubChem CID 91337493) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3S)-3-amino-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-hydroxybutan-2-one
PubChem CID91337493
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name(3S)-3-amino-4-hydroxybutan-2-one
SMILESCC(=O)[C@@H](N)CO.CC(=O)[C@@H](N)CO
InChIInChI=1S/2C4H9NO2/c2*1-3(7)4(5)2-6/h2*4,6H,2,5H2,1H3/t2*4-/m00/s1
InChIKeyMMLZHULYZPDXIL-RZVRUWJTSA-N
XLogP-2.21
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
CID 157089134
CID 157089134
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-hydroxybutan-2-one?
The IUPAC name of (3S)-3-amino-4-hydroxybutan-2-one (CID 91337493) is (3S)-3-amino-4-hydroxybutan-2-one.
What is the SMILES notation for (3S)-3-amino-4-hydroxybutan-2-one?
The canonical SMILES for (3S)-3-amino-4-hydroxybutan-2-one is CC(=O)[C@@H](N)CO.CC(=O)[C@@H](N)CO.
What is the InChIKey of (3S)-3-amino-4-hydroxybutan-2-one?
The InChIKey is MMLZHULYZPDXIL-RZVRUWJTSA-N. The full InChI is InChI=1S/2C4H9NO2/c2*1-3(7)4(5)2-6/h2*4,6H,2,5H2,1H3/t2*4-/m00/s1.
What are the key properties of (3S)-3-amino-4-hydroxybutan-2-one?
(3S)-3-amino-4-hydroxybutan-2-one has a molecular weight of 206.24 g/mol, XLogP of -2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-hydroxybutan-2-one is sourced from PubChem (CID 91337493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).