[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone

C20H22N2O2 — CID 133118283

IUPAC[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESN[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C20H22N2O2/c21-18-13-22(12-17(18)14-10-11-14)20(23)16-8-4-5-9-19(16)24-15-6-2-1-3-7-15/h1-9,14,17-18H,10-13,21H2/t17-,18+/m0/s1
InChIKeyDFCLJZGKJKYFRT-ZWKOTPCHSA-N
MW322.41 g/mol
LogP3.29
Rot. Bonds4

About [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 133118283) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID133118283
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESN[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C20H22N2O2/c21-18-13-22(12-17(18)14-10-11-14)20(23)16-8-4-5-9-19(16)24-15-6-2-1-3-7-15/h1-9,14,17-18H,10-13,21H2/t17-,18+/m0/s1
InChIKeyDFCLJZGKJKYFRT-ZWKOTPCHSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-cyclobutyloxyphenyl)methanone;hydrochloride
CID 154578382
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(3R,4R)-4-cyclopropyl-1-(2-propan-2-yloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 120979234
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90584913
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone (CID 133118283) is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone is N[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C1CC1.
What is the InChIKey of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is DFCLJZGKJKYFRT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-18-13-22(12-17(18)14-10-11-14)20(23)16-8-4-5-9-19(16)24-15-6-2-1-3-7-15/h1-9,14,17-18H,10-13,21H2/t17-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone?
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 322.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 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]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 133118283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).