4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 61157499

IUPAC4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCCC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)12-4-3-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyRNHSNVUSPJOFKJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.58
Rot. Bonds5

About 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61157499) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID61157499
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NCCC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)12-4-3-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyRNHSNVUSPJOFKJ-UHFFFAOYSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic 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

(2S,4S)-4-hydroxy-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 64712518
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S)-4-hydroxy-1-(2-propan-2-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 61152101
1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
1-docosanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78122778
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151966

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 61157499) is 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is CC(C)NCCC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RNHSNVUSPJOFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)12-4-3-10(15)13-6-8(14)5-9(13)11(16)17/h7-9,12,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61157499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).