(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid

C13H18N2O2 — CID 67098900

IUPAC(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O2/c16-13(17)15-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyRVPJVPOIONJODT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds4

About (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid

(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid (PubChem CID 67098900) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid.

Molecular Properties

Compound Name(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid
PubChem CID67098900
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C1CCNC1
InChIInChI=1S/C13H18N2O2/c16-13(17)15-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
InChIKeyRVPJVPOIONJODT-UHFFFAOYSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
CID 119451866
3-[3-[3-[3-(2-carboxy-2-pyrrolidin-3-ylethyl)phenyl]propyl]phenyl]-2-pyrrolidin-3-ylpropanoic acid
CID 176760757
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977078
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
(2S)-3-[3-[2-[2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]anilino]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 157022626
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid?
The IUPAC name of (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid (CID 67098900) is (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid.
What is the SMILES notation for (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid?
The canonical SMILES for (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid is O=C(O)NC(Cc1ccccc1)C1CCNC1.
What is the InChIKey of (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid?
The InChIKey is RVPJVPOIONJODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)15-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17).
What are the key properties of (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid?
(2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid has a molecular weight of 234.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-pyrrolidin-3-ylethyl)carbamic acid is sourced from PubChem (CID 67098900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).