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

C10H20N2O5S — CID 119954604

IUPAC2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-5-8(2)12(7-10(14)15)9(13)6-11(3)18(4,16)17/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyYHQVYCBCKMZSEP-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.41
Rot. Bonds7

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

2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid (PubChem CID 119954604) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
PubChem CID119954604
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-5-8(2)12(7-10(14)15)9(13)6-11(3)18(4,16)17/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyYHQVYCBCKMZSEP-UHFFFAOYSA-N
XLogP-0.41
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[butan-2-yl-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]amino]acetic acid
CID 119954928
2-[butan-2-yl-(2-butylsulfanylacetyl)amino]acetic acid
CID 60827913
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[butan-2-yl(propan-2-yl)amino]acetic acid
CID 60839836
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 60829062
N-(2-hydroxyethyl)-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 90253117

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid (CID 119954604) is 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid?
The InChIKey is YHQVYCBCKMZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-5-8(2)12(7-10(14)15)9(13)6-11(3)18(4,16)17/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid?
2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid has a molecular weight of 280.35 g/mol, XLogP of -0.41, 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(methylsulfonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 119954604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).