2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid

C10H17N3O4S — CID 61199681

IUPAC2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)NCC(=O)O)C1CCSC1
InChIInChI=1S/C10H17N3O4S/c1-13(7-2-3-18-6-7)10(17)12-4-8(14)11-5-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyJGKHNALZHJNSRP-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.67
Rot. Bonds5

About 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 61199681) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID61199681
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)NCC(=O)O)C1CCSC1
InChIInChI=1S/C10H17N3O4S/c1-13(7-2-3-18-6-7)10(17)12-4-8(14)11-5-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyJGKHNALZHJNSRP-UHFFFAOYSA-N
XLogP-0.67
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid (CID 61199681) is 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid is CN(C(=O)NCC(=O)NCC(=O)O)C1CCSC1.
What is the InChIKey of 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is JGKHNALZHJNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-13(7-2-3-18-6-7)10(17)12-4-8(14)11-5-9(15)16/h7H,2-6H2,1H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 275.33 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61199681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).