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

C12H21NO4 — CID 79758556

IUPAC2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-4-9(12(15)16)7-13-11(14)10-5-6-17-8(10)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNOAOSFUCAPTJQV-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

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

2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 79758556) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID79758556
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-4-9(12(15)16)7-13-11(14)10-5-6-17-8(10)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNOAOSFUCAPTJQV-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

Analyze 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
CID 106118030
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 79750914
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
CID 82727899
methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
CID 103493206
2-[[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 104621999
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
2-[(oxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222628

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid (CID 79758556) is 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)C1CCOC1C)C(=O)O.
What is the InChIKey of 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is NOAOSFUCAPTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-4-9(12(15)16)7-13-11(14)10-5-6-17-8(10)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid?
2-[[(2-methyloxolane-3-carbonyl)amino]methyl]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-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 79758556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).