2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H16Br2N2O3 — CID 107601778

IUPAC2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H16Br2N2O3/c15-10-5-2-6-11(16)12(10)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21)
InChIKeyKRKSTTCRJOBEMM-UHFFFAOYSA-N
MW420.10 g/mol
LogP3.83
Rot. Bonds4

About 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107601778) has the molecular formula C14H16Br2N2O3 and a molecular weight of 420.10 g/mol. Its IUPAC name is 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107601778
Molecular FormulaC14H16Br2N2O3
Molecular Weight420.10 g/mol
Exact Mass417.95
IUPAC Name2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H16Br2N2O3/c15-10-5-2-6-11(16)12(10)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21)
InChIKeyKRKSTTCRJOBEMM-UHFFFAOYSA-N
XLogP3.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.10
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103480889
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
2-[[3-(2-bromophenyl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103572
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107949287
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114101428
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 107601778) is 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)Nc1c(Br)cccc1Br.
What is the InChIKey of 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KRKSTTCRJOBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O3/c15-10-5-2-6-11(16)12(10)18-14(21)17-7-8-3-1-4-9(8)13(19)20/h2,5-6,8-9H,1,3-4,7H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 420.10 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dibromophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107601778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).