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

C10H17NO3S — CID 75428964

IUPAC2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
SMILESCSCC(C)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-7(6-15-2)10(14)11(5-9(12)13)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeySZKQOSKVTBZUGA-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.06
Rot. Bonds6

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

2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid (PubChem CID 75428964) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
PubChem CID75428964
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
SMILESCSCC(C)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-7(6-15-2)10(14)11(5-9(12)13)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeySZKQOSKVTBZUGA-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 119202843
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198355
2-[(2-methyl-3-methylsulfanylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 115730558
2-[2-butylsulfanylpropanoyl(cyclopropyl)amino]acetic acid
CID 119194852
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[cycloheptyl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid;N-cyclohexylcyclohexanamine
CID 54580807
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
CID 79012295
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
2-[cyclopropyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 61195638

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid (CID 75428964) is 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid is CSCC(C)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid?
The InChIKey is SZKQOSKVTBZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(6-15-2)10(14)11(5-9(12)13)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid?
2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid is sourced from PubChem (CID 75428964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).