3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid

C7H13NO6 — CID 155479234

IUPAC3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)OCC(O)CO
InChIInChI=1S/C7H13NO6/c9-3-5(10)4-14-7(13)8-2-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12)
InChIKeyCDJRQNQFTFIIHY-UHFFFAOYSA-N
MW207.18 g/mol
LogP-1.46
Rot. Bonds6

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

3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid (PubChem CID 155479234) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
PubChem CID155479234
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)OCC(O)CO
InChIInChI=1S/C7H13NO6/c9-3-5(10)4-14-7(13)8-2-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12)
InChIKeyCDJRQNQFTFIIHY-UHFFFAOYSA-N
XLogP-1.46
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
CID 139478100
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid
CID 122451526
3-[[2-(1-amino-2-hydroxyethoxy)-2-[(2-methylpropan-2-yl)oxy]ethoxy]carbonylamino]propanoic acid
CID 139375918
4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 135319453
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
3-[2-hydroxy-3-(octadecylcarbamoyloxy)propyl]sulfanylpropanoic acid
CID 22418622
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
(4S)-4-acetamido-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 11129133
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
(3S)-3-amino-4-(2,3-dihydroxypropoxy)-4-oxobutanoic acid
CID 54121468
ethane;1-(1-hydroxy-4,4-dimethylpentan-2-yl)oxyethane-1,2-diol;3-[[2-(1-hydroxy-4,4-dimethylpentan-2-yl)oxy-2-[(2-methylpropan-2-yl)oxy]ethoxy]carbonylamino]propanoic acid;2-methylpropane
CID 144829391

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid (CID 155479234) is 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid is O=C(O)CCNC(=O)OCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid?
The InChIKey is CDJRQNQFTFIIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO6/c9-3-5(10)4-14-7(13)8-2-1-6(11)12/h5,9-10H,1-4H2,(H,8,13)(H,11,12).
What are the key properties of 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid?
3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid has a molecular weight of 207.18 g/mol, XLogP of -1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid is sourced from PubChem (CID 155479234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).