4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid

C16H22N2O3 — CID 61160281

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(CC(=O)NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-14(11-4-2-1-3-5-11)10-15(19)18-13-8-6-12(7-9-13)16(20)21/h1-5,12-14H,6-10,17H2,(H,18,19)(H,20,21)
InChIKeyLUYDGHLKVJVTJN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds5

About 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid

4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61160281) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61160281
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(CC(=O)NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c17-14(11-4-2-1-3-5-11)10-15(19)18-13-8-6-12(7-9-13)16(20)21/h1-5,12-14H,6-10,17H2,(H,18,19)(H,20,21)
InChIKeyLUYDGHLKVJVTJN-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
4-(3-phenylpentanoylamino)cyclohexane-1-carboxylic acid
CID 119229843
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
3-amino-1-cyclopropyl-3-phenylpropan-1-one
CID 116553143

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 61160281) is 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid is NC(CC(=O)NC1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LUYDGHLKVJVTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-14(11-4-2-1-3-5-11)10-15(19)18-13-8-6-12(7-9-13)16(20)21/h1-5,12-14H,6-10,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61160281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).