4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid

C11H21NO4 — CID 138616534

IUPAC4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCCN1CC(O)C(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-8(2)16-5-3-4-12-6-9(11(14)15)10(13)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGLYDHFOZOITSAH-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.18
Rot. Bonds6

About 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid

4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid (PubChem CID 138616534) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
PubChem CID138616534
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)OCCCN1CC(O)C(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-8(2)16-5-3-4-12-6-9(11(14)15)10(13)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyGLYDHFOZOITSAH-UHFFFAOYSA-N
XLogP0.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-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

2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid
CID 50981461
1-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 59148061
(3aS,6aR)-2-(3-propan-2-yloxypropyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120679907
(3S,4S)-1-[3-(2,6-dimethylphenoxy)propyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120781
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
CID 83160990
4-hydroxy-1-(3-propan-2-yloxypropyl)-3-[1-(3-propan-2-yloxypropyl)pyrrolidin-2-yl]piperidine-4-carboxylic acid
CID 147767067

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid (CID 138616534) is 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid is CC(C)OCCCN1CC(O)C(C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GLYDHFOZOITSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)16-5-3-4-12-6-9(11(14)15)10(13)7-12/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid?
4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 138616534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).