2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid

C17H23NO2 — CID 79982392

IUPAC2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1ccccc1C1CC1
InChIInChI=1S/C17H23NO2/c19-17(20)16(18-13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h4-5,8-9,12-13,16,18H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyKBTQBLIPFROSHV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds5

About 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid

2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid (PubChem CID 79982392) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
PubChem CID79982392
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1ccccc1C1CC1
InChIInChI=1S/C17H23NO2/c19-17(20)16(18-13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h4-5,8-9,12-13,16,18H,1-3,6-7,10-11H2,(H,19,20)
InChIKeyKBTQBLIPFROSHV-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetic acid
CID 60997656
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66679588
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 79973080
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
1-(2-cyclohexylphenyl)-1-hydroxypropan-2-one
CID 174983482
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid (CID 79982392) is 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid is O=C(O)C(NC1CCCCC1)c1ccccc1C1CC1.
What is the InChIKey of 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid?
The InChIKey is KBTQBLIPFROSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)16(18-13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-10-11-12/h4-5,8-9,12-13,16,18H,1-3,6-7,10-11H2,(H,19,20).
What are the key properties of 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid?
2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid has a molecular weight of 273.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid is sourced from PubChem (CID 79982392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).