1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C11H18N2O4 — CID 55166354

IUPAC1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(O)C2)C1
InChIInChI=1S/C11H18N2O4/c1-11(9(15)16)3-5-13(7-11)10(17)12-4-2-8(14)6-12/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyKOIDMWJTCRSZQM-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.03
Rot. Bonds1

About 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 55166354) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID55166354
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(O)C2)C1
InChIInChI=1S/C11H18N2O4/c1-11(9(15)16)3-5-13(7-11)10(17)12-4-2-8(14)6-12/h8,14H,2-7H2,1H3,(H,15,16)
InChIKeyKOIDMWJTCRSZQM-UHFFFAOYSA-N
XLogP-0.03
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxypyrrolidine-1-carbonyl)-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

1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63147419
1-(2-cyanomorpholine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79676927

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 55166354) is 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCC(O)C2)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KOIDMWJTCRSZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(9(15)16)3-5-13(7-11)10(17)12-4-2-8(14)6-12/h8,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).