[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone

C15H20N2O2 — CID 133115424

IUPAC[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESN[C@@H]1CN(C(=O)c2ccc(CO)cc2)C[C@H]1C1CC1
InChIInChI=1S/C15H20N2O2/c16-14-8-17(7-13(14)11-5-6-11)15(19)12-3-1-10(9-18)2-4-12/h1-4,11,13-14,18H,5-9,16H2/t13-,14+/m0/s1
InChIKeyDCSBGGSLALKYGD-UONOGXRCSA-N
MW260.34 g/mol
LogP0.99
Rot. Bonds3

About [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 133115424) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
PubChem CID133115424
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone
SMILESN[C@@H]1CN(C(=O)c2ccc(CO)cc2)C[C@H]1C1CC1
InChIInChI=1S/C15H20N2O2/c16-14-8-17(7-13(14)11-5-6-11)15(19)12-3-1-10(9-18)2-4-12/h1-4,11,13-14,18H,5-9,16H2/t13-,14+/m0/s1
InChIKeyDCSBGGSLALKYGD-UONOGXRCSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(hydroxymethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl] carbamate
CID 175578622
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 72853307
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 156605171
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 72882169
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 156604160
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-ethylphenyl)methanone
CID 43596222
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
CID 156604167
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone (CID 133115424) is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone is N[C@@H]1CN(C(=O)c2ccc(CO)cc2)C[C@H]1C1CC1.
What is the InChIKey of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is DCSBGGSLALKYGD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14-8-17(7-13(14)11-5-6-11)15(19)12-3-1-10(9-18)2-4-12/h1-4,11,13-14,18H,5-9,16H2/t13-,14+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone?
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 260.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 133115424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).