2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid

C10H19N3O4S — CID 63957321

IUPAC2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
SMILESCSCC(C)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-7(6-18-2)3-12-10(17)13-4-8(14)11-5-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyHEZQBEKLFYJICB-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.51
Rot. Bonds8

About 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 63957321) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID63957321
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
SMILESCSCC(C)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4S/c1-7(6-18-2)3-12-10(17)13-4-8(14)11-5-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyHEZQBEKLFYJICB-UHFFFAOYSA-N
XLogP-0.51
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
CID 63958104
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
CID 79463856
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
2-[[2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 112662995
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid (CID 63957321) is 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid is CSCC(C)CNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is HEZQBEKLFYJICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-7(6-18-2)3-12-10(17)13-4-8(14)11-5-9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 277.35 g/mol, XLogP of -0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 63957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).