(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide

C13H22N2OS — CID 79012678

IUPAC(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
SMILESCc1ccc(CC(C)NC(=O)[C@H](N)C(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-8(2)12(14)13(16)15-9(3)7-11-6-5-10(4)17-11/h5-6,8-9,12H,7,14H2,1-4H3,(H,15,16)/t9?,12-/m1/s1
InChIKeyROTFRXLSNJOIHM-FFFFSGIJSA-N
MW254.40 g/mol
LogP2.09
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide

(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide (PubChem CID 79012678) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
PubChem CID79012678
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
SMILESCc1ccc(CC(C)NC(=O)[C@H](N)C(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-8(2)12(14)13(16)15-9(3)7-11-6-5-10(4)17-11/h5-6,8-9,12H,7,14H2,1-4H3,(H,15,16)/t9?,12-/m1/s1
InChIKeyROTFRXLSNJOIHM-FFFFSGIJSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
(2R)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 103928081
2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
(2R)-4-amino-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107828031
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide (CID 79012678) is (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide is Cc1ccc(CC(C)NC(=O)[C@H](N)C(C)C)s1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
The InChIKey is ROTFRXLSNJOIHM-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(2)12(14)13(16)15-9(3)7-11-6-5-10(4)17-11/h5-6,8-9,12H,7,14H2,1-4H3,(H,15,16)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide?
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide is sourced from PubChem (CID 79012678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).