1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17BrN2O3 — CID 107627199

IUPAC1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-9-10(15)5-4-6-11(9)16-13(20)17-14(12(18)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIBQUIQYHDYYMOV-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.28
Rot. Bonds3

About 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 107627199) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID107627199
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-9-10(15)5-4-6-11(9)16-13(20)17-14(12(18)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIBQUIQYHDYYMOV-UHFFFAOYSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methyl-3-nitrophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 107810989
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 103416292
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854347
1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81156235
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
CID 107627490

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 107627199) is 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is Cc1c(Br)cccc1NC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IBQUIQYHDYYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-10(15)5-4-6-11(9)16-13(20)17-14(12(18)19)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107627199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).