2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid

C12H21NO4 — CID 114824595

IUPAC2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
SMILESCC1CC(C(=O)NCCCC(C)C(=O)O)CO1
InChIInChI=1S/C12H21NO4/c1-8(12(15)16)4-3-5-13-11(14)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGBVCTPUHJWCIAX-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

About 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid

2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid (PubChem CID 114824595) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
PubChem CID114824595
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
SMILESCC1CC(C(=O)NCCCC(C)C(=O)O)CO1
InChIInChI=1S/C12H21NO4/c1-8(12(15)16)4-3-5-13-11(14)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGBVCTPUHJWCIAX-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.03
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

2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
3-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824539
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824579
N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
CID 106245074
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid (CID 114824595) is 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid is CC1CC(C(=O)NCCCC(C)C(=O)O)CO1.
What is the InChIKey of 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid?
The InChIKey is GBVCTPUHJWCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(12(15)16)4-3-5-13-11(14)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid?
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114824595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).