3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid

C9H17NO7 — CID 174405460

IUPAC3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid
SMILESCC(C=O)(CO)C(O)C(=O)O.NCCC(=O)O
InChIInChI=1S/C6H10O5.C3H7NO2/c1-6(2-7,3-8)4(9)5(10)11;4-2-1-3(5)6/h2,4,8-9H,3H2,1H3,(H,10,11);1-2,4H2,(H,5,6)
InChIKeyPUGMLPPYFLDIAV-UHFFFAOYSA-N
MW251.23 g/mol
LogP-1.95
Rot. Bonds6

About 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid

3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid (PubChem CID 174405460) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid
PubChem CID174405460
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid
SMILESCC(C=O)(CO)C(O)C(=O)O.NCCC(=O)O
InChIInChI=1S/C6H10O5.C3H7NO2/c1-6(2-7,3-8)4(9)5(10)11;4-2-1-3(5)6/h2,4,8-9H,3H2,1H3,(H,10,11);1-2,4H2,(H,5,6)
InChIKeyPUGMLPPYFLDIAV-UHFFFAOYSA-N
XLogP-1.95
TPSA158.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-1.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic 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

3-(15N)azanyl(113C)propanoic acid
CID 11366951
4-formyl-5-hydroxy-4-methylpentanoic acid
CID 123307328
alumane;3-aminopropanoic acid;1-chloropropane-1,1,2-triol;zirconium
CID 174619479
CID 131881947
CID 131881947
(2S)-2-aminobutanedioic acid;3-aminopropanoic acid
CID 89158281
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
3-aminopropanoic acid;propanoic acid;prop-1-ene
CID 88933122
3-aminopropanoic acid;nitrous acid
CID 25232620
3-aminopropanoic acid;2-formamido-4-methylsulfanylbutanoic acid
CID 174949821
3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 88757399
2-(3-aminopropanoyl)propanedioic acid
CID 172844038
4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87497053

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid?
The IUPAC name of 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid (CID 174405460) is 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid.
What is the SMILES notation for 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid?
The canonical SMILES for 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid is CC(C=O)(CO)C(O)C(=O)O.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid?
The InChIKey is PUGMLPPYFLDIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.C3H7NO2/c1-6(2-7,3-8)4(9)5(10)11;4-2-1-3(5)6/h2,4,8-9H,3H2,1H3,(H,10,11);1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid?
3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid has a molecular weight of 251.23 g/mol, XLogP of -1.95, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;3-formyl-2,4-dihydroxy-3-methylbutanoic acid is sourced from PubChem (CID 174405460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).