2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid

C11H20N2O3S — CID 112662552

IUPAC2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
SMILESCSCCN(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3S/c1-12(5-6-17-2)11(16)13(8-10(14)15)7-9-3-4-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXAVGJVIYGBMBLB-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.20
Rot. Bonds7

About 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid (PubChem CID 112662552) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
PubChem CID112662552
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
SMILESCSCCN(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3S/c1-12(5-6-17-2)11(16)13(8-10(14)15)7-9-3-4-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXAVGJVIYGBMBLB-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid
CID 107439170
2-[cyclopropylmethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]acetic acid
CID 81057310
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-[cyclopropylmethyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 61425635
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[butyl(2-hydroxyethyl)carbamoyl]-(cyclopropylmethyl)amino]acetic acid
CID 61447331
2-[cyclopropylmethyl-[furan-3-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61422874

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid (CID 112662552) is 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid is CSCCN(C)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid?
The InChIKey is XAVGJVIYGBMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-12(5-6-17-2)11(16)13(8-10(14)15)7-9-3-4-9/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid has a molecular weight of 260.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[methyl(2-methylsulfanylethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 112662552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).