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

C14H16BrNO4 — CID 106321314

IUPACcis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16BrNO4/c15-10-2-1-3-12(7-10)20-8-13(17)16-11-5-4-9(6-11)14(18)19/h1-3,7,9,11H,4-6,8H2,(H,16,17)(H,18,19)/t9-,11+/m1/s1
InChIKeyILPBZKVAPBQCML-KOLCDFICSA-N
MW342.19 g/mol
LogP2.20
Rot. Bonds5

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

cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106321314) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106321314
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Namecis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H16BrNO4/c15-10-2-1-3-12(7-10)20-8-13(17)16-11-5-4-9(6-11)14(18)19/h1-3,7,9,11H,4-6,8H2,(H,16,17)(H,18,19)/t9-,11+/m1/s1
InChIKeyILPBZKVAPBQCML-KOLCDFICSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86918559
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
cis-(1R,3S)-3-[[2-(4-methoxy-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677969
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 9264469
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 106321314) is cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1cccc(Br)c1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ILPBZKVAPBQCML-KOLCDFICSA-N. The full InChI is InChI=1S/C14H16BrNO4/c15-10-2-1-3-12(7-10)20-8-13(17)16-11-5-4-9(6-11)14(18)19/h1-3,7,9,11H,4-6,8H2,(H,16,17)(H,18,19)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).