[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid

C14H20N2O2 — CID 154457780

IUPAC[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CCCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)15-13-8-10-16(11-13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m1/s1
InChIKeySIAOZKAQIAYPFP-CYBMUJFWSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds5

About [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 154457780) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
PubChem CID154457780
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CCCc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)15-13-8-10-16(11-13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m1/s1
InChIKeySIAOZKAQIAYPFP-CYBMUJFWSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic 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

(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
CID 22888133
ethane;formaldehyde;N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine;N-(1-methylpyrrolidin-3-yl)-4-phenylbenzamide
CID 142940687
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
(5S)-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 22888066
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid (CID 154457780) is [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(CCCc2ccccc2)C1.
What is the InChIKey of [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is SIAOZKAQIAYPFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)15-13-8-10-16(11-13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m1/s1.
What are the key properties of [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 248.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 154457780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).