N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide

C15H19ClN2O2 — CID 136581608

IUPACN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-15(20)6-7-18(9-15)14(19)17-13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-13,20H,6-9H2,1H3,(H,17,19)/t12-,13+,15?/m0/s1
InChIKeyNNNYPQUPIBWNIV-IKCIUXDWSA-N
MW294.78 g/mol
LogP2.36
Rot. Bonds2

About N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide

N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide (PubChem CID 136581608) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide
PubChem CID136581608
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-15(20)6-7-18(9-15)14(19)17-13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-13,20H,6-9H2,1H3,(H,17,19)/t12-,13+,15?/m0/s1
InChIKeyNNNYPQUPIBWNIV-IKCIUXDWSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97011138
2-[[1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122012956
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522
1-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012282
methyl 1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-3-methylpyrrolidine-3-carboxylate
CID 84588477
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
(3S,4S)-3-N,4-N-bis[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-1-[4-[(3S,4S)-4-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-3-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 171353259
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
(4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 133125563
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide (CID 136581608) is N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide is CC1(O)CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide?
The InChIKey is NNNYPQUPIBWNIV-IKCIUXDWSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(20)6-7-18(9-15)14(19)17-13-8-12(13)10-2-4-11(16)5-3-10/h2-5,12-13,20H,6-9H2,1H3,(H,17,19)/t12-,13+,15?/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide?
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136581608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).