3-(ethylcarbamoylamino)-2-methylpropanoic acid

C7H14N2O3 — CID 62674990

IUPAC3-(ethylcarbamoylamino)-2-methylpropanoic acid
SMILESCCNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-8-7(12)9-4-5(2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyLNJXYHAYKGAOSZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.03
Rot. Bonds4

About 3-(ethylcarbamoylamino)-2-methylpropanoic acid

3-(ethylcarbamoylamino)-2-methylpropanoic acid (PubChem CID 62674990) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(ethylcarbamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(ethylcarbamoylamino)-2-methylpropanoic acid
PubChem CID62674990
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-(ethylcarbamoylamino)-2-methylpropanoic acid
SMILESCCNC(=O)NCC(C)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-3-8-7(12)9-4-5(2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyLNJXYHAYKGAOSZ-UHFFFAOYSA-N
XLogP0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 64597206
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
2-methyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 62669013
3-[2-(ethylsulfamoyl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106340861
2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 62669389
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
1,3-diethylurea;ethane
CID 142885504
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 62836702
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(ethylcarbamoylamino)-2-methylpropanoic acid (CID 62674990) is 3-(ethylcarbamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(ethylcarbamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(ethylcarbamoylamino)-2-methylpropanoic acid is CCNC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-(ethylcarbamoylamino)-2-methylpropanoic acid?
The InChIKey is LNJXYHAYKGAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-3-8-7(12)9-4-5(2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12).
What are the key properties of 3-(ethylcarbamoylamino)-2-methylpropanoic acid?
3-(ethylcarbamoylamino)-2-methylpropanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62674990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).