(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide

C15H20N2O — CID 99774852

IUPAC(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11-10-17(15(18)16-9-12-7-8-12)14(11)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,16,18)/t11-,14+/m0/s1
InChIKeyIYNCISVLLJACPG-SMDDNHRTSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds3

About (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide

(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide (PubChem CID 99774852) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
PubChem CID99774852
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11-10-17(15(18)16-9-12-7-8-12)14(11)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,16,18)/t11-,14+/m0/s1
InChIKeyIYNCISVLLJACPG-SMDDNHRTSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 124840709
(2S,3S)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023950
(2R,3R)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023951
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 124568403
(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 125139334
4-[3-(3-methyl-2-phenylazetidin-1-yl)-3-oxopropyl]benzoic acid
CID 119187124
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
(3S)-2-(cyclopropylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895751
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799645
2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide (CID 99774852) is (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide is C[C@H]1CN(C(=O)NCC2CC2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide?
The InChIKey is IYNCISVLLJACPG-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-10-17(15(18)16-9-12-7-8-12)14(11)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,16,18)/t11-,14+/m0/s1.
What are the key properties of (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide?
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 99774852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).