(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide

C15H17N3O2 — CID 129345423

IUPAC(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide
SMILESN#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCO1
InChIInChI=1S/C15H17N3O2/c16-9-12-10-18(6-7-20-12)15(19)17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyUHOSLUMGKOMVDF-HZSPNIEDSA-N
MW271.32 g/mol
LogP1.48
Rot. Bonds2

About (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide

(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide (PubChem CID 129345423) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide
PubChem CID129345423
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide
SMILESN#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCO1
InChIInChI=1S/C15H17N3O2/c16-9-12-10-18(6-7-20-12)15(19)17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyUHOSLUMGKOMVDF-HZSPNIEDSA-N
XLogP1.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
CID 127290864
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
2-cyano-N-phenylmorpholine-4-carbothioamide
CID 115616233
4-(3-phenyl-2-sulfanylpropanoyl)morpholine-2-carbonitrile
CID 107032226
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
CID 97204217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide (CID 129345423) is (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide is N#C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)CCO1.
What is the InChIKey of (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide?
The InChIKey is UHOSLUMGKOMVDF-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-12-10-18(6-7-20-12)15(19)17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2,(H,17,19)/t12-,13+,14-/m1/s1.
What are the key properties of (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide?
(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide is sourced from PubChem (CID 129345423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).