1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid

C15H21NO4 — CID 79570899

IUPAC1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCOc1ccc(CO)cc1
InChIInChI=1S/C15H21NO4/c16-15(14(18)19)8-1-2-12(15)7-9-20-13-5-3-11(10-17)4-6-13/h3-6,12,17H,1-2,7-10,16H2,(H,18,19)
InChIKeyGDSAVJHFCMQDJD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds6

About 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79570899) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79570899
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCOc1ccc(CO)cc1
InChIInChI=1S/C15H21NO4/c16-15(14(18)19)8-1-2-12(15)7-9-20-13-5-3-11(10-17)4-6-13/h3-6,12,17H,1-2,7-10,16H2,(H,18,19)
InChIKeyGDSAVJHFCMQDJD-UHFFFAOYSA-N
XLogP1.53
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
[4-[2-[2-(hydroxymethyl)-2-(methylamino)cyclopentyl]ethoxy]phenyl]methanol
CID 79581217
1-amino-2-[2-(3,4-dimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79588085
[1-amino-2-[2-(3,4-difluorophenoxy)ethyl]cyclopentyl]methanol
CID 79581784
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
1-amino-2-[2-(3,5-difluorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 79587219
[1-amino-2-[2-(3-methylsulfonylphenoxy)ethyl]cyclopentyl]methanol
CID 79587037
1-amino-2-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586482
trans-(1R,2S)-1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 125181100
1-(methylamino)-2-(2-phenoxyethyl)cyclopentane-1-carboxylic acid
CID 79587207
[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
CID 71018256
1-amino-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylic acid
CID 79588183

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid (CID 79570899) is 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCCC1CCOc1ccc(CO)cc1.
What is the InChIKey of 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is GDSAVJHFCMQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c16-15(14(18)19)8-1-2-12(15)7-9-20-13-5-3-11(10-17)4-6-13/h3-6,12,17H,1-2,7-10,16H2,(H,18,19).
What are the key properties of 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79570899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).