2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

C11H19NO3S — CID 115910047

IUPAC2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3S/c1-7(6-16-3)9(13)12-11(2,10(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRSCSFGVGHUYZOT-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.36
Rot. Bonds6

About 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (PubChem CID 115910047) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
PubChem CID115910047
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H19NO3S/c1-7(6-16-3)9(13)12-11(2,10(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRSCSFGVGHUYZOT-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
CID 119573041
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CID 103513145
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
CID 61162344
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 43360421
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115731634
2-cyclopropyl-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55001121
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid
CID 64643053

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (CID 115910047) is 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is CSCC(C)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The InChIKey is RSCSFGVGHUYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7(6-16-3)9(13)12-11(2,10(14)15)8-4-5-8/h7-8H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid has a molecular weight of 245.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 115910047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).