(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide

C11H17BrN2OS — CID 103794391

IUPAC(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-2-3-9(13)11(15)14-7-6-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRMYVOMLUFGZMEJ-SECBINFHSA-N
MW305.24 g/mol
LogP2.30
Rot. Bonds6

About (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide

(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide (PubChem CID 103794391) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
PubChem CID103794391
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-2-3-9(13)11(15)14-7-6-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRMYVOMLUFGZMEJ-SECBINFHSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-2-carbamothioylbutanamide
CID 114139154
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide (CID 103794391) is (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide is CCC[C@@H](N)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide?
The InChIKey is RMYVOMLUFGZMEJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-2-3-9(13)11(15)14-7-6-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide?
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide has a molecular weight of 305.24 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 103794391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).