2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid

C18H21NO3 — CID 84747241

IUPAC2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
SMILESO=C(O)C(NC1CCC(O)CC1)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-14-10-8-13(9-11-14)19-17(18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19-20H,8-11H2,(H,21,22)
InChIKeyHQZCYVCKUJMUSE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid

2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid (PubChem CID 84747241) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
PubChem CID84747241
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
SMILESO=C(O)C(NC1CCC(O)CC1)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-14-10-8-13(9-11-14)19-17(18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19-20H,8-11H2,(H,21,22)
InChIKeyHQZCYVCKUJMUSE-UHFFFAOYSA-N
XLogP2.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
CID 166319656
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
CID 79982392
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
methyl 2-(cyclopropylamino)-2-isoquinolin-4-ylacetate
CID 104504264
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetic acid
CID 60997656
2-(cyclohexylamino)-2-naphthalen-1-ylethanol
CID 61047481
2-(cyclopropylamino)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)acetic acid
CID 64507723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid (CID 84747241) is 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid is O=C(O)C(NC1CCC(O)CC1)c1cccc2ccccc12.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid?
The InChIKey is HQZCYVCKUJMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-14-10-8-13(9-11-14)19-17(18(21)22)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17,19-20H,8-11H2,(H,21,22).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid?
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 84747241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).