2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid

C8H16N2O3 — CID 130805137

IUPAC2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CC(O)CN1CC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5-2-6(11)3-10(5)4-7(9)8(12)13/h5-7,11H,2-4,9H2,1H3,(H,12,13)
InChIKeyZGVQXNINYZJTKS-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.15
Rot. Bonds3

About 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid

2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 130805137) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid
PubChem CID130805137
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CC(O)CN1CC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5-2-6(11)3-10(5)4-7(9)8(12)13/h5-7,11H,2-4,9H2,1H3,(H,12,13)
InChIKeyZGVQXNINYZJTKS-UHFFFAOYSA-N
XLogP-1.15
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)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-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
CID 79938635
2-amino-3-(2-methyl-1,4-oxazepan-4-yl)propanoic acid
CID 62972400
3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanethioamide
CID 130863708
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2,7-bis[(2-methylaziridin-1-yl)methyl]octanedioic acid
CID 135134334
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
1-(cyclopentylmethyl)-5-methylpyrrolidin-3-ol
CID 127682151
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 118245943

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid (CID 130805137) is 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid is CC1CC(O)CN1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is ZGVQXNINYZJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5-2-6(11)3-10(5)4-7(9)8(12)13/h5-7,11H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid?
2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-2-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 130805137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).