2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

C13H20N2O3S — CID 61197361

IUPAC2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-4-10(2)15(8-12(16)17)13(18)14(3)7-11-5-6-19-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyFVTOCPBAMMWYHD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.48
Rot. Bonds6

About 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 61197361) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID61197361
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C13H20N2O3S/c1-4-10(2)15(8-12(16)17)13(18)14(3)7-11-5-6-19-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyFVTOCPBAMMWYHD-UHFFFAOYSA-N
XLogP2.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[[methyl(thiophen-3-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61197925
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-[[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466825
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid (CID 61197361) is 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is FVTOCPBAMMWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10(2)15(8-12(16)17)13(18)14(3)7-11-5-6-19-9-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 284.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61197361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).