2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid

C10H19N3O4S — CID 112662995

IUPAC2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCSCC(C)N(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-7(6-18-3)13(2)10(17)12-4-8(14)11-5-9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyHBFUVQCTIWISAR-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.42
Rot. Bonds7

About 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 112662995) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID112662995
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCSCC(C)N(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-7(6-18-3)13(2)10(17)12-4-8(14)11-5-9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyHBFUVQCTIWISAR-UHFFFAOYSA-N
XLogP-0.42
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 112661372
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662982
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
2,3-dimethyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 103955096
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
4-hydroxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662882
2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
CID 63959874

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid (CID 112662995) is 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid is CSCC(C)N(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is HBFUVQCTIWISAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-7(6-18-3)13(2)10(17)12-4-8(14)11-5-9(15)16/h7H,4-6H2,1-3H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 277.35 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 112662995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).