2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

C9H17N3O5 — CID 106109727

IUPAC2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-10-7(13)5-12(2)9(16)11-4-6(17-3)8(14)15/h6H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyCMBVNWXGTRFHCH-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.53
Rot. Bonds6

About 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (PubChem CID 106109727) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
PubChem CID106109727
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-10-7(13)5-12(2)9(16)11-4-6(17-3)8(14)15/h6H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyCMBVNWXGTRFHCH-UHFFFAOYSA-N
XLogP-1.53
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
2-methoxy-3-[[methyl(prop-2-ynyl)carbamoyl]amino]propanoic acid
CID 106110394
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144716
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109943
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 114144624
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (CID 106109727) is 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is CNC(=O)CN(C)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The InChIKey is CMBVNWXGTRFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-10-7(13)5-12(2)9(16)11-4-6(17-3)8(14)15/h6H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 106109727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).