3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid

C12H22N2O4 — CID 82748099

IUPAC3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)C1CCOC1
InChIInChI=1S/C12H22N2O4/c1-4-14(7-9(2)11(15)16)12(17)13(3)10-5-6-18-8-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyZFOOOZJHAOQJSF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.87
Rot. Bonds5

About 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 82748099) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID82748099
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)C1CCOC1
InChIInChI=1S/C12H22N2O4/c1-4-14(7-9(2)11(15)16)12(17)13(3)10-5-6-18-8-10/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyZFOOOZJHAOQJSF-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
CID 82743357
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
(2R)-3-[cyclopropyl-[(3R)-oxolane-3-carbonyl]amino]-2-methylpropanoic acid
CID 124694297
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
CID 110838535
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
2-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]pentanoic acid
CID 82749425

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 82748099) is 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)C1CCOC1.
What is the InChIKey of 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZFOOOZJHAOQJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-14(7-9(2)11(15)16)12(17)13(3)10-5-6-18-8-10/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82748099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).