2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid

C15H19NO4 — CID 70338287

IUPAC2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
SMILESO=C(O)CNC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C15H19NO4/c17-13(18)10-16-15(8-4-5-9-15)14(19)20-11-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,17,18)
InChIKeyVYFPOJWGMYMLSJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.72
Rot. Bonds6

About 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid

2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid (PubChem CID 70338287) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
PubChem CID70338287
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
SMILESO=C(O)CNC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C15H19NO4/c17-13(18)10-16-15(8-4-5-9-15)14(19)20-11-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,17,18)
InChIKeyVYFPOJWGMYMLSJ-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
CID 177254785
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
ethyl 1-(2-phenylethylamino)cyclopentane-1-carboxylate
CID 152760490
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
benzyl 1-[(4-methyl-1H-pyrrole-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 122152422
1-O-benzyl 1-O'-(iodomethyl) cyclobutane-1,1-dicarboxylate
CID 102602708
benzyl 1-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylate;benzyl 1-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 161174199

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid?
The IUPAC name of 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid (CID 70338287) is 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid is O=C(O)CNC1(C(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid?
The InChIKey is VYFPOJWGMYMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13(18)10-16-15(8-4-5-9-15)14(19)20-11-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H,17,18).
What are the key properties of 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid?
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid is sourced from PubChem (CID 70338287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).