2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid

C11H20N2O4 — CID 62385844

IUPAC2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,9(14)15)13-10(16)12-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyPCMJMCHQZHROTD-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.58
Rot. Bonds4

About 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid

2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid (PubChem CID 62385844) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
PubChem CID62385844
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,9(14)15)13-10(16)12-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyPCMJMCHQZHROTD-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55039191
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
CID 117234625
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]-2-methylpropanoic acid
CID 113363068
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532050
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
(2S,3S)-3-methyl-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 63705569
2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethylcarbamoylamino)propanoic acid
CID 102896511
1-(oxan-4-ylmethyl)-3-prop-2-enylurea
CID 108912891
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid (CID 62385844) is 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid is CC(C)(NC(=O)NCC1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is PCMJMCHQZHROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,9(14)15)13-10(16)12-7-8-3-5-17-6-4-8/h8H,3-7H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid?
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62385844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).