(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide

C15H19NO — CID 899685

IUPAC(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC12CCC2)c1ccccc1
InChIInChI=1S/C15H19NO/c1-11(12-6-3-2-4-7-12)16-14(17)13-10-15(13)8-5-9-15/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyRHZCAGRSRUWWDU-YPMHNXCESA-N
MW229.32 g/mol
LogP3.05
Rot. Bonds3

About (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide

(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide (PubChem CID 899685) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
PubChem CID899685
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC12CCC2)c1ccccc1
InChIInChI=1S/C15H19NO/c1-11(12-6-3-2-4-7-12)16-14(17)13-10-15(13)8-5-9-15/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyRHZCAGRSRUWWDU-YPMHNXCESA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
2-methyl-3-phenyl-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122107603
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81355599
2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 122109303
N-[cyclopentyl(phenyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 167890511
trans-(1S,3R)-1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 91901549
N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81404563
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide (CID 899685) is (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CC12CCC2)c1ccccc1.
What is the InChIKey of (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide?
The InChIKey is RHZCAGRSRUWWDU-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19NO/c1-11(12-6-3-2-4-7-12)16-14(17)13-10-15(13)8-5-9-15/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide?
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 899685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).