3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid

C16H22N2O3 — CID 63046094

IUPAC3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
SMILESNC1CCCC(C(=O)N(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c17-13-6-4-5-12(11-13)16(21)18(10-9-15(19)20)14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11,17H2,(H,19,20)
InChIKeyAQVZQEMYWUOANG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds5

About 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid

3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid (PubChem CID 63046094) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
PubChem CID63046094
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid
SMILESNC1CCCC(C(=O)N(CCC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c17-13-6-4-5-12(11-13)16(21)18(10-9-15(19)20)14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11,17H2,(H,19,20)
InChIKeyAQVZQEMYWUOANG-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(4-aminocyclohexanecarbonyl)anilino)propanoic acid
CID 61159722
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
N-(3-amino-3-sulfanylidenepropyl)-N-phenylcyclobutanecarboxamide
CID 24695589
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
CID 119749158
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342

Frequently Asked Questions

What is the IUPAC name of 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid?
The IUPAC name of 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid (CID 63046094) is 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid is NC1CCCC(C(=O)N(CCC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid?
The InChIKey is AQVZQEMYWUOANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-6-4-5-12(11-13)16(21)18(10-9-15(19)20)14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11,17H2,(H,19,20).
What are the key properties of 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid?
3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-aminocyclohexanecarbonyl)anilino)propanoic acid is sourced from PubChem (CID 63046094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).