cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H15BrN2O3 — CID 120676344

IUPACcis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H15BrN2O3/c16-11-2-1-3-12-13(11)10(7-17-12)14(19)18-9-5-4-8(6-9)15(20)21/h1-3,7-9,17H,4-6H2,(H,18,19)(H,20,21)/t8-,9+/m0/s1
InChIKeyWGUFSQUMCFPAHC-DTWKUNHWSA-N
MW351.20 g/mol
LogP2.91
Rot. Bonds3

About cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120676344) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120676344
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Namecis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H15BrN2O3/c16-11-2-1-3-12-13(11)10(7-17-12)14(19)18-9-5-4-8(6-9)15(20)21/h1-3,7-9,17H,4-6H2,(H,18,19)(H,20,21)/t8-,9+/m0/s1
InChIKeyWGUFSQUMCFPAHC-DTWKUNHWSA-N
XLogP2.91
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
cis-(1R,3S)-3-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678012
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677452

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120676344) is cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WGUFSQUMCFPAHC-DTWKUNHWSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-11-2-1-3-12-13(11)10(7-17-12)14(19)18-9-5-4-8(6-9)15(20)21/h1-3,7-9,17H,4-6H2,(H,18,19)(H,20,21)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).