1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 60951395

IUPAC1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(O)c1)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C16H21NO4/c1-17(11-12-5-4-6-13(18)9-12)14(19)10-16(15(20)21)7-2-3-8-16/h4-6,9,18H,2-3,7-8,10-11H2,1H3,(H,20,21)
InChIKeyARMWGDSNZKGKLV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60951395) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60951395
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(O)c1)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C16H21NO4/c1-17(11-12-5-4-6-13(18)9-12)14(19)10-16(15(20)21)7-2-3-8-16/h4-6,9,18H,2-3,7-8,10-11H2,1H3,(H,20,21)
InChIKeyARMWGDSNZKGKLV-UHFFFAOYSA-N
XLogP2.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43527993
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43385413
1-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43563437
1-[2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551400
2-[1-[(3-hydroxyphenyl)methyl-methylamino]cyclohexyl]acetic acid
CID 65243007
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-[1-(aminomethyl)cyclohexyl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 104677898
1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588299
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60951395) is 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CN(Cc1cccc(O)c1)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ARMWGDSNZKGKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-17(11-12-5-4-6-13(18)9-12)14(19)10-16(15(20)21)7-2-3-8-16/h4-6,9,18H,2-3,7-8,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60951395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).