2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid

C11H20N2O4 — CID 82728122

IUPAC2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)NC1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)3-5-12-11(16)13-9-4-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyNPZKOAZBBMCTOD-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds5

About 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid

2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid (PubChem CID 82728122) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
PubChem CID82728122
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)NC1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)3-5-12-11(16)13-9-4-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyNPZKOAZBBMCTOD-UHFFFAOYSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 80541155
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
CID 82727899
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
CID 82728125
2-methyl-4-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114121821
2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
CID 82726081
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
3-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]pentanoic acid
CID 82728333
2-[(2-methyloxolan-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 82728872
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 82726185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid (CID 82728122) is 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid is CC(CCNC(=O)NC1CCOC1C)C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid?
The InChIKey is NPZKOAZBBMCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(10(14)15)3-5-12-11(16)13-9-4-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid?
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 82728122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).