(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid

C15H20N2O2 — CID 90406485

IUPAC(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CN(Cc2ccccc2)CC1C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)16-14-10-17(9-13(14)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2,(H,18,19)
InChIKeyCBOPZPIOIFZWNO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds4

About (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid

(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid (PubChem CID 90406485) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
PubChem CID90406485
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CN(Cc2ccccc2)CC1C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(19)16-14-10-17(9-13(14)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2,(H,18,19)
InChIKeyCBOPZPIOIFZWNO-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
N-[(3S,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]-4-cyanooxane-4-carboxamide
CID 133121305
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide
CID 133138745
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)thiourea
CID 130624142
2-benzyl-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;dihydrochloride
CID 126845066
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
CID 72904594
3-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 100909477
(2S)-N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-amino-3,3-dimethylbutanamide
CID 66590025
N-[2-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]ethyl]acetamide
CID 99579246

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid (CID 90406485) is (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid is O=C(O)NC1CN(Cc2ccccc2)CC1C1CC1.
What is the InChIKey of (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid?
The InChIKey is CBOPZPIOIFZWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)16-14-10-17(9-13(14)12-6-7-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2,(H,18,19).
What are the key properties of (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid?
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid has a molecular weight of 260.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 90406485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).