3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119309135

IUPAC3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2.ClH/c17-14(9-11-5-2-1-3-6-11)16(21)19-13-8-4-7-12(10-13)15(18)20;/h1-3,5-6,12-14H,4,7-10,17H2,(H2,18,20)(H,19,21);1H/t12?,13?,14-;/m0./s1
InChIKeyUQZGDGRGOAWGGC-WTMFEIAXSA-N
MW325.84 g/mol
LogP1.14
Rot. Bonds5

About 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride

3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119309135) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119309135
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C16H23N3O2.ClH/c17-14(9-11-5-2-1-3-6-11)16(21)19-13-8-4-7-12(10-13)15(18)20;/h1-3,5-6,12-14H,4,7-10,17H2,(H2,18,20)(H,19,21);1H/t12?,13?,14-;/m0./s1
InChIKeyUQZGDGRGOAWGGC-WTMFEIAXSA-N
XLogP1.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
CID 119335197
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride (CID 119309135) is 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride is Cl.NC(=O)C1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.
What is the InChIKey of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UQZGDGRGOAWGGC-WTMFEIAXSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-14(9-11-5-2-1-3-6-11)16(21)19-13-8-4-7-12(10-13)15(18)20;/h1-3,5-6,12-14H,4,7-10,17H2,(H2,18,20)(H,19,21);1H/t12?,13?,14-;/m0./s1.
What are the key properties of 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride?
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119309135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).