[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid

C11H14BrN3O2 — CID 135345504

IUPAC[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESCc1cc(N2CC[C@H](NC(=O)O)C2)ncc1Br
InChIInChI=1S/C11H14BrN3O2/c1-7-4-10(13-5-9(7)12)15-3-2-8(6-15)14-11(16)17/h4-5,8,14H,2-3,6H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyVTWCMHFUOGSTAR-QMMMGPOBSA-N
MW300.16 g/mol
LogP2.00
Rot. Bonds2

About [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid

[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 135345504) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
PubChem CID135345504
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESCc1cc(N2CC[C@H](NC(=O)O)C2)ncc1Br
InChIInChI=1S/C11H14BrN3O2/c1-7-4-10(13-5-9(7)12)15-3-2-8(6-15)14-11(16)17/h4-5,8,14H,2-3,6H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyVTWCMHFUOGSTAR-QMMMGPOBSA-N
XLogP2.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
1-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 114869038
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
5-bromo-2-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-4-methylpyridine
CID 133403306
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid (CID 135345504) is [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid is Cc1cc(N2CC[C@H](NC(=O)O)C2)ncc1Br.
What is the InChIKey of [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is VTWCMHFUOGSTAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-4-10(13-5-9(7)12)15-3-2-8(6-15)14-11(16)17/h4-5,8,14H,2-3,6H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid?
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 300.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 135345504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).