cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C15H19BrN2O3 — CID 106319397

IUPACcis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H19BrN2O3/c1-18(9-10-2-5-12(16)6-3-10)15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,21)(H,19,20)/t11-,13+/m1/s1
InChIKeyFWFMGOJUDFUVAY-YPMHNXCESA-N
MW355.23 g/mol
LogP2.84
Rot. Bonds4

About cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319397) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319397
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Namecis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H19BrN2O3/c1-18(9-10-2-5-12(16)6-3-10)15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,21)(H,19,20)/t11-,13+/m1/s1
InChIKeyFWFMGOJUDFUVAY-YPMHNXCESA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319508
3-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031256
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425498
4-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024270
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
4-[[(4-chloro-3-fluorophenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023644
cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319786
4-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024864
3-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-[(4-hydroxyphenyl)methyl]-1-methylurea
CID 97029971
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319397) is cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FWFMGOJUDFUVAY-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-18(9-10-2-5-12(16)6-3-10)15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-9H2,1H3,(H,17,21)(H,19,20)/t11-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).