2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid

C15H20N2O3 — CID 63045402

IUPAC2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
SMILESNC1CCCC(C(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h4-7,11-12H,1-3,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyIDXYGZPZZLWXON-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid

2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid (PubChem CID 63045402) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
PubChem CID63045402
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
SMILESNC1CCCC(C(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C15H20N2O3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h4-7,11-12H,1-3,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyIDXYGZPZZLWXON-UHFFFAOYSA-N
XLogP1.77
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
CID 119794511
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 64822057
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid (CID 63045402) is 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid is NC1CCCC(C(=O)Nc2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is IDXYGZPZZLWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h4-7,11-12H,1-3,8-9,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid?
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 63045402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).