(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid

C9H17NO3 — CID 177455085

IUPAC(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CNC(CCCO)C1
InChIInChI=1S/C9H17NO3/c1-9(8(12)13)5-7(10-6-9)3-2-4-11/h7,10-11H,2-6H2,1H3,(H,12,13)/t7?,9-/m1/s1
InChIKeyJHSCQUIUACGRRK-NHSZFOGYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds4

About (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 177455085) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID177455085
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@]1(C(=O)O)CNC(CCCO)C1
InChIInChI=1S/C9H17NO3/c1-9(8(12)13)5-7(10-6-9)3-2-4-11/h7,10-11H,2-6H2,1H3,(H,12,13)/t7?,9-/m1/s1
InChIKeyJHSCQUIUACGRRK-NHSZFOGYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-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

(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
ethane;3-(3-hydroxypropyl)-5,5-dimethylpyrrolidin-2-one
CID 156638793
(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 146242695
(3R)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 146242724
5-(hydroxymethyl)-1,3,5-trimethylcyclohexane-1,3-dicarboxylic acid
CID 129120880
(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 139389191
3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
CID 118102818
4-[(2S)-aziridin-2-yl]butan-1-ol
CID 99770578
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
CID 157371740
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid (CID 177455085) is (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid is C[C@]1(C(=O)O)CNC(CCCO)C1.
What is the InChIKey of (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JHSCQUIUACGRRK-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(8(12)13)5-7(10-6-9)3-2-4-11/h7,10-11H,2-6H2,1H3,(H,12,13)/t7?,9-/m1/s1.
What are the key properties of (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(3-hydroxypropyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 177455085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).