3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid

C10H18N2O5 — CID 82742368

IUPAC3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
SMILESCOCC(NC(=O)N(C)C1CCOC1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(7-3-4-17-5-7)10(15)11-8(6-16-2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLBIRROCWODAZFO-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.48
Rot. Bonds5

About 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid

3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 82742368) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
PubChem CID82742368
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
SMILESCOCC(NC(=O)N(C)C1CCOC1)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(7-3-4-17-5-7)10(15)11-8(6-16-2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLBIRROCWODAZFO-UHFFFAOYSA-N
XLogP-0.48
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-((hexylcarbamoyl)amino)-3-hydroxypropanoate
CID 101229424
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CID 135037693
3-Methoxy-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propanoic acid
CID 81081781
3-Methoxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 81083928
2-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]-3-methoxypropanoic acid
CID 105918972
Diethyl 2-(butylcarbamoylamino)propanedioate
CID 295909
methyl (2S)-2-(tert-butylcarbamoylamino)-3-hydroxypropanoate
CID 54449855
ethyl (2S)-2-(ethylcarbamoylamino)-3-hydroxypropanoate
CID 58630020
Butyl 2-[(1-butoxy-3-hydroxy-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoate
CID 58928892
1-methyl-3-[(3S)-2-oxooxolan-3-yl]-1-propan-2-ylurea
CID 68042456
1-Methyl-3-(2-oxooxolan-3-yl)-1-propan-2-ylurea
CID 77399494
(S)-1-(2-Ethoxy-2-oxoethyl)-2-oxoimidazolidine-4-carboxylic acid
CID 86690631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid (CID 82742368) is 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid is COCC(NC(=O)N(C)C1CCOC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is LBIRROCWODAZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-12(7-3-4-17-5-7)10(15)11-8(6-16-2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82742368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).