3-hydroxy-2-(propanoylamino)propanoic acid

C6H11NO4 — CID 11845678

IUPAC3-hydroxy-2-(propanoylamino)propanoic acid
SMILESCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(9)7-4(3-8)6(10)11/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyRGFPJYGHDYJTLP-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds4

About 3-hydroxy-2-(propanoylamino)propanoic acid

3-hydroxy-2-(propanoylamino)propanoic acid (PubChem CID 11845678) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-hydroxy-2-(propanoylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(propanoylamino)propanoic acid
PubChem CID11845678
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-hydroxy-2-(propanoylamino)propanoic acid
SMILESCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(9)7-4(3-8)6(10)11/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11)
InChIKeyRGFPJYGHDYJTLP-UHFFFAOYSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
CID 80750602
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-(propanoylamino)pentanedioic acid
CID 10436353
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61152892
3-ethylsulfanyl-2-(propanoylamino)propanoic acid
CID 87754591
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(propanoylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(propanoylamino)propanoic acid (CID 11845678) is 3-hydroxy-2-(propanoylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(propanoylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(propanoylamino)propanoic acid is CCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(propanoylamino)propanoic acid?
The InChIKey is RGFPJYGHDYJTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-5(9)7-4(3-8)6(10)11/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-hydroxy-2-(propanoylamino)propanoic acid?
3-hydroxy-2-(propanoylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(propanoylamino)propanoic acid is sourced from PubChem (CID 11845678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).