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

C13H24N2O4 — CID 104686817

IUPAC2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NCC1(C)CCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(11(16)17)5-3-7-14-12(18)15-9-13(2)6-4-8-19-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZDZPLKHLLCTEIH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds7

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

2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 104686817) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID104686817
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)NCC1(C)CCCO1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(11(16)17)5-3-7-14-12(18)15-9-13(2)6-4-8-19-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZDZPLKHLLCTEIH-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]propanoic acid
CID 114144739
(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 114005749
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
CID 83040810
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 80541329
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid (CID 104686817) is 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid is CC(CCCNC(=O)NCC1(C)CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is ZDZPLKHLLCTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(11(16)17)5-3-7-14-12(18)15-9-13(2)6-4-8-19-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid?
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 104686817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).