1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H20BrNO3 — CID 81379420

IUPAC1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccccc1Br
InChIInChI=1S/C16H20BrNO3/c1-11(12-6-2-3-7-13(12)17)18-14(19)10-16(15(20)21)8-4-5-9-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyUAMZJFONBHJUSW-LLVKDONJSA-N
MW354.24 g/mol
LogP3.66
Rot. Bonds5

About 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 81379420) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID81379420
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESC[C@@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccccc1Br
InChIInChI=1S/C16H20BrNO3/c1-11(12-6-2-3-7-13(12)17)18-14(19)10-16(15(20)21)8-4-5-9-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1
InChIKeyUAMZJFONBHJUSW-LLVKDONJSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43399713
1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81409013
1-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 40896538
1-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60934441
1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43402811
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
1-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662211
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 81379420) is 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is C[C@@H](NC(=O)CC1(C(=O)O)CCCC1)c1ccccc1Br.
What is the InChIKey of 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is UAMZJFONBHJUSW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-11(12-6-2-3-7-13(12)17)18-14(19)10-16(15(20)21)8-4-5-9-16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)(H,20,21)/t11-/m1/s1.
What are the key properties of 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 354.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81379420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).