cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H15BrN2O3 — CID 114173616

IUPACcis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccccc1Br)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15BrN2O3/c14-10-3-1-2-4-11(10)16-13(19)15-9-6-5-8(7-9)12(17)18/h1-4,8-9H,5-7H2,(H,17,18)(H2,15,16,19)/t8-,9+/m1/s1
InChIKeyXZZDQUXDKSJOMR-BDAKNGLRSA-N
MW327.18 g/mol
LogP2.82
Rot. Bonds3

About cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173616) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173616
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Namecis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccccc1Br)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15BrN2O3/c14-10-3-1-2-4-11(10)16-13(19)15-9-6-5-8(7-9)12(17)18/h1-4,8-9H,5-7H2,(H,17,18)(H2,15,16,19)/t8-,9+/m1/s1
InChIKeyXZZDQUXDKSJOMR-BDAKNGLRSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031213
cis-(1R,3S)-3-[[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 167791723
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107593237
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 114173616) is cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1ccccc1Br)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is XZZDQUXDKSJOMR-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-3-1-2-4-11(10)16-13(19)15-9-6-5-8(7-9)12(17)18/h1-4,8-9H,5-7H2,(H,17,18)(H2,15,16,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).