2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid

C17H22N2O4 — CID 119224306

IUPAC2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(18-11-16(21)22)10-12-6-8-14(9-7-12)19-17(23)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeySKHWCPLHDPJARP-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.95
Rot. Bonds6

About 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid

2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid (PubChem CID 119224306) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
PubChem CID119224306
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(18-11-16(21)22)10-12-6-8-14(9-7-12)19-17(23)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeySKHWCPLHDPJARP-UHFFFAOYSA-N
XLogP1.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid (CID 119224306) is 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The InChIKey is SKHWCPLHDPJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(18-11-16(21)22)10-12-6-8-14(9-7-12)19-17(23)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid?
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).