(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate

C11H12BrClN2O2 — CID 142325901

IUPAC(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate
SMILESN[C@@H]1CCN(C(=O)Oc2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C11H12BrClN2O2/c12-7-3-8(13)5-10(4-7)17-11(16)15-2-1-9(14)6-15/h3-5,9H,1-2,6,14H2/t9-/m1/s1
InChIKeyWIWVNUSRTIEKSC-SECBINFHSA-N
MW319.59 g/mol
LogP2.63
Rot. Bonds1

About (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate

(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate (PubChem CID 142325901) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate
PubChem CID142325901
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate
SMILESN[C@@H]1CCN(C(=O)Oc2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C11H12BrClN2O2/c12-7-3-8(13)5-10(4-7)17-11(16)15-2-1-9(14)6-15/h3-5,9H,1-2,6,14H2/t9-/m1/s1
InChIKeyWIWVNUSRTIEKSC-SECBINFHSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate with MolForge

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Related Compounds

phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
(4-ethoxyphenyl) 3-aminopyrrolidine-1-carboxylate
CID 116819452
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
[4-[4-(hydroxymethyl)phenoxy]phenyl] (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325528
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
CID 86722638
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119411617
1-(3-chlorophenoxy)carbonylpyrrolidine-3-carboxylic acid
CID 116819510
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate?
The IUPAC name of (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate (CID 142325901) is (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate is N[C@@H]1CCN(C(=O)Oc2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate?
The InChIKey is WIWVNUSRTIEKSC-SECBINFHSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-7-3-8(13)5-10(4-7)17-11(16)15-2-1-9(14)6-15/h3-5,9H,1-2,6,14H2/t9-/m1/s1.
What are the key properties of (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate?
(3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate has a molecular weight of 319.59 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl) (3R)-3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 142325901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).