(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide

C15H22N2O2 — CID 107221661

IUPAC(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H22N2O2/c16-12(10-11-6-2-1-3-7-11)15(19)17-13-8-4-5-9-14(13)18/h1-3,6-7,12-14,18H,4-5,8-10,16H2,(H,17,19)/t12-,13+,14+/m1/s1
InChIKeySQFUVMHTLQBVGO-RDBSUJKOSA-N
MW262.35 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide

(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide (PubChem CID 107221661) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
PubChem CID107221661
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H22N2O2/c16-12(10-11-6-2-1-3-7-11)15(19)17-13-8-4-5-9-14(13)18/h1-3,6-7,12-14,18H,4-5,8-10,16H2,(H,17,19)/t12-,13+,14+/m1/s1
InChIKeySQFUVMHTLQBVGO-RDBSUJKOSA-N
XLogP0.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
CID 119335197
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide (CID 107221661) is (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide?
The InChIKey is SQFUVMHTLQBVGO-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-12(10-11-6-2-1-3-7-11)15(19)17-13-8-4-5-9-14(13)18/h1-3,6-7,12-14,18H,4-5,8-10,16H2,(H,17,19)/t12-,13+,14+/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide?
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 107221661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).