cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13Br2NO3 — CID 106320556

IUPACcis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H13Br2NO3/c14-9-3-8(4-10(15)6-9)12(17)16-11-2-1-7(5-11)13(18)19/h3-4,6-7,11H,1-2,5H2,(H,16,17)(H,18,19)/t7-,11+/m1/s1
InChIKeyKGZIOWJKSFDMJQ-HQJQHLMTSA-N
MW391.06 g/mol
LogP3.19
Rot. Bonds3

About cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320556) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320556
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Namecis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H13Br2NO3/c14-9-3-8(4-10(15)6-9)12(17)16-11-2-1-7(5-11)13(18)19/h3-4,6-7,11H,1-2,5H2,(H,16,17)(H,18,19)/t7-,11+/m1/s1
InChIKeyKGZIOWJKSFDMJQ-HQJQHLMTSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031213
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(4-bromo-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321375

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106320556) is cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(Br)cc(Br)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KGZIOWJKSFDMJQ-HQJQHLMTSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c14-9-3-8(4-10(15)6-9)12(17)16-11-2-1-7(5-11)13(18)19/h3-4,6-7,11H,1-2,5H2,(H,16,17)(H,18,19)/t7-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 391.06 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).