2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid

C10H19N3O6 — CID 54999225

IUPAC2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
SMILESCOCC(O)CN(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O6/c1-13(5-7(14)6-19-2)10(18)12-3-8(15)11-4-9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)
InChIKeyABACRLHOQOIXTR-UHFFFAOYSA-N
MW277.28 g/mol
LogP-2.16
Rot. Bonds8

About 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 54999225) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
PubChem CID54999225
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
SMILESCOCC(O)CN(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O6/c1-13(5-7(14)6-19-2)10(18)12-3-8(15)11-4-9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17)
InChIKeyABACRLHOQOIXTR-UHFFFAOYSA-N
XLogP-2.16
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
2-[[2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 82951795
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
2-[[2-[[2-cyanoethyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61184711
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 95133886
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133675
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid (CID 54999225) is 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid is COCC(O)CN(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is ABACRLHOQOIXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-13(5-7(14)6-19-2)10(18)12-3-8(15)11-4-9(16)17/h7,14H,3-6H2,1-2H3,(H,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 277.28 g/mol, XLogP of -2.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 54999225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).