2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid

C12H22N2O4 — CID 103133669

IUPAC2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC1CCC(C)O1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(15)16)14-11(17)13-7-9-6-5-8(2)18-9/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyHFQDDJRVFSBUDZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds5

About 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid

2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid (PubChem CID 103133669) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
PubChem CID103133669
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NCC1CCC(C)O1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(15)16)14-11(17)13-7-9-6-5-8(2)18-9/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyHFQDDJRVFSBUDZ-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130915059
2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
CID 103133662
2-fluoro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propanamide
CID 131187349
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
3-bromo-N-[(5-methyloxolan-2-yl)methyl]prop-2-ynamide
CID 131059412
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154
2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414489
2-(but-2-ynylcarbamoylamino)-2-methylbutanoic acid
CID 62310127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid (CID 103133669) is 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid is CCC(C)(NC(=O)NCC1CCC(C)O1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is HFQDDJRVFSBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-12(3,10(15)16)14-11(17)13-7-9-6-5-8(2)18-9/h8-9H,4-7H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid?
2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 103133669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).