cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H12BrNO4 — CID 120677452

IUPACcis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1occc1Br
InChIInChI=1S/C11H12BrNO4/c12-8-3-4-17-9(8)10(14)13-7-2-1-6(5-7)11(15)16/h3-4,6-7H,1-2,5H2,(H,13,14)(H,15,16)/t6-,7+/m1/s1
InChIKeyJUZOUWZWOTZUQK-RQJHMYQMSA-N
MW302.12 g/mol
LogP2.03
Rot. Bonds3

About cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677452) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677452
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Namecis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1occc1Br
InChIInChI=1S/C11H12BrNO4/c12-8-3-4-17-9(8)10(14)13-7-2-1-6(5-7)11(15)16/h3-4,6-7H,1-2,5H2,(H,13,14)(H,15,16)/t6-,7+/m1/s1
InChIKeyJUZOUWZWOTZUQK-RQJHMYQMSA-N
XLogP2.03
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
cis-(1R,3S)-3-[(3,5-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320556
cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
cis-(1R,3S)-3-[(4-bromo-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321375
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120677452) is cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1occc1Br.
What is the InChIKey of cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JUZOUWZWOTZUQK-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H12BrNO4/c12-8-3-4-17-9(8)10(14)13-7-2-1-6(5-7)11(15)16/h3-4,6-7H,1-2,5H2,(H,13,14)(H,15,16)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.12 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).