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

C10H18N2O4 — CID 82742753

IUPAC2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)C1CCOC1
InChIInChI=1S/C10H18N2O4/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyUVWDOETXLYWCSD-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds3

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

2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 82742753) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
PubChem CID82742753
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NC(C)(C)C(=O)O)C1CCOC1
InChIInChI=1S/C10H18N2O4/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyUVWDOETXLYWCSD-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61265369
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002549
2,2-dichloro-N-methyl-N-(oxolan-3-yl)propanamide
CID 131085788
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 82740289
6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 82740104
2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 82742597
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid (CID 82742753) is 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid is CN(C(=O)NC(C)(C)C(=O)O)C1CCOC1.
What is the InChIKey of 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is UVWDOETXLYWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,8(13)14)11-9(15)12(3)7-4-5-16-6-7/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid?
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82742753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).