2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid

C11H19NO4 — CID 104682491

IUPAC2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
SMILESCC(CCCNC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)3-2-5-12-10(13)9-4-6-16-7-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXDCPTNZBTUOYLA-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds6

About 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid

2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid (PubChem CID 104682491) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
PubChem CID104682491
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
SMILESCC(CCCNC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(11(14)15)3-2-5-12-10(13)9-4-6-16-7-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXDCPTNZBTUOYLA-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799
N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
CID 62668088
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid (CID 104682491) is 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid is CC(CCCNC(=O)C1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid?
The InChIKey is XDCPTNZBTUOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(11(14)15)3-2-5-12-10(13)9-4-6-16-7-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid?
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 104682491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).