2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid

C14H20N2O4S — CID 60829062

IUPAC2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-10(2)16(9-13(18)19)12(17)8-15(3)14(20)11-6-5-7-21-11/h5-7,10H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySNEGXDLKUGNMPX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.53
Rot. Bonds7

About 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid

2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 60829062) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID60829062
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-10(2)16(9-13(18)19)12(17)8-15(3)14(20)11-6-5-7-21-11/h5-7,10H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySNEGXDLKUGNMPX-UHFFFAOYSA-N
XLogP1.53
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79386751
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid (CID 60829062) is 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is SNEGXDLKUGNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-10(2)16(9-13(18)19)12(17)8-15(3)14(20)11-6-5-7-21-11/h5-7,10H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 60829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).