(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid

C5H9NO5 — CID 45122522

IUPAC(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
SMILESN[C@@H](COC(=O)CO)C(=O)O
InChIInChI=1S/C5H9NO5/c6-3(5(9)10)2-11-4(8)1-7/h3,7H,1-2,6H2,(H,9,10)/t3-/m0/s1
InChIKeyBPSDIIZGBMBUSN-VKHMYHEASA-N
MW163.13 g/mol
LogP-2.07
Rot. Bonds4

About (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid

(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid (PubChem CID 45122522) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
PubChem CID45122522
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
SMILESN[C@@H](COC(=O)CO)C(=O)O
InChIInChI=1S/C5H9NO5/c6-3(5(9)10)2-11-4(8)1-7/h3,7H,1-2,6H2,(H,9,10)/t3-/m0/s1
InChIKeyBPSDIIZGBMBUSN-VKHMYHEASA-N
XLogP-2.07
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
2-[(2S)-2-amino-2-carboxyethoxy]-2-oxoethanediazonium
CID 44563367
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(2-aminoacetyl)oxypropanoic acid;sulfo hydrogen sulfate
CID 158750704
(2S)-2-amino-3-octadecanoyloxypropanoic acid
CID 140580797
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
CID 87672799
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid (CID 45122522) is (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid is N[C@@H](COC(=O)CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid?
The InChIKey is BPSDIIZGBMBUSN-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9NO5/c6-3(5(9)10)2-11-4(8)1-7/h3,7H,1-2,6H2,(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid?
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid has a molecular weight of 163.13 g/mol, XLogP of -2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid is sourced from PubChem (CID 45122522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).