2-(2,3-dihydroxypropanoylamino)propanoic acid

C6H11NO5 — CID 86130746

IUPAC2-(2,3-dihydroxypropanoylamino)propanoic acid
SMILESCC(NC(=O)C(O)CO)C(=O)O
InChIInChI=1S/C6H11NO5/c1-3(6(11)12)7-5(10)4(9)2-8/h3-4,8-9H,2H2,1H3,(H,7,10)(H,11,12)
InChIKeyWURKDCMNBVDCCW-UHFFFAOYSA-N
MW177.16 g/mol
LogP-2.07
Rot. Bonds4

About 2-(2,3-dihydroxypropanoylamino)propanoic acid

2-(2,3-dihydroxypropanoylamino)propanoic acid (PubChem CID 86130746) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxypropanoylamino)propanoic acid
PubChem CID86130746
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-(2,3-dihydroxypropanoylamino)propanoic acid
SMILESCC(NC(=O)C(O)CO)C(=O)O
InChIInChI=1S/C6H11NO5/c1-3(6(11)12)7-5(10)4(9)2-8/h3-4,8-9H,2H2,1H3,(H,7,10)(H,11,12)
InChIKeyWURKDCMNBVDCCW-UHFFFAOYSA-N
XLogP-2.07
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
CID 87703866
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
(2S)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)propanoic acid
CID 56969147
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoic acid
CID 18221143
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
CID 18751384
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropanoylamino)propanoic acid?
The IUPAC name of 2-(2,3-dihydroxypropanoylamino)propanoic acid (CID 86130746) is 2-(2,3-dihydroxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydroxypropanoylamino)propanoic acid?
The canonical SMILES for 2-(2,3-dihydroxypropanoylamino)propanoic acid is CC(NC(=O)C(O)CO)C(=O)O.
What is the InChIKey of 2-(2,3-dihydroxypropanoylamino)propanoic acid?
The InChIKey is WURKDCMNBVDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-3(6(11)12)7-5(10)4(9)2-8/h3-4,8-9H,2H2,1H3,(H,7,10)(H,11,12).
What are the key properties of 2-(2,3-dihydroxypropanoylamino)propanoic acid?
2-(2,3-dihydroxypropanoylamino)propanoic acid has a molecular weight of 177.16 g/mol, XLogP of -2.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropanoylamino)propanoic acid is sourced from PubChem (CID 86130746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).