methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate

C13H20N2O3S — CID 104983078

IUPACmethyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H20N2O3S/c1-7(2)5-9(14)12(16)15-10-8(3)6-19-11(10)13(17)18-4/h6-7,9H,5,14H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyNXBMEYMWLDRGQO-SECBINFHSA-N
MW284.38 g/mol
LogP2.16
Rot. Bonds5

About methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate

methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate (PubChem CID 104983078) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
PubChem CID104983078
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H20N2O3S/c1-7(2)5-9(14)12(16)15-10-8(3)6-19-11(10)13(17)18-4/h6-7,9H,5,14H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyNXBMEYMWLDRGQO-SECBINFHSA-N
XLogP2.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156
methyl 3-(2-carbamothioylpentanoylamino)-4-methylthiophene-2-carboxylate
CID 114915714
methyl 4-methyl-3-[2-[nitroso(propyl)amino]propanoylamino]thiophene-2-carboxylate
CID 171390081
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
CID 114914504
methyl 3-[(3-amino-5-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914531
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915667
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450
3-[2-(carbamoylamino)propanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914665
methyl 2-[(2-amino-4-methylpentanoyl)amino]-5-methylbenzoate
CID 43701493
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate (CID 104983078) is methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)[C@H](N)CC(C)C.
What is the InChIKey of methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate?
The InChIKey is NXBMEYMWLDRGQO-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7(2)5-9(14)12(16)15-10-8(3)6-19-11(10)13(17)18-4/h6-7,9H,5,14H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate?
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 104983078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).