(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid

C10H15BrN2O3 — CID 104861265

IUPAC(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=C(Br)CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H15BrN2O3/c1-7(11)5-12-10(16)13-4-2-3-8(6-13)9(14)15/h8H,1-6H2,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyUEXRQZIAZYEJRS-QMMMGPOBSA-N
MW291.15 g/mol
LogP1.40
Rot. Bonds3

About (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 104861265) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID104861265
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid
SMILESC=C(Br)CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H15BrN2O3/c1-7(11)5-12-10(16)13-4-2-3-8(6-13)9(14)15/h8H,1-6H2,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyUEXRQZIAZYEJRS-QMMMGPOBSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
CID 43568585
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid (CID 104861265) is (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid is C=C(Br)CNC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UEXRQZIAZYEJRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-7(11)5-12-10(16)13-4-2-3-8(6-13)9(14)15/h8H,1-6H2,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 291.15 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-bromoprop-2-enylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104861265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).