4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid

C13H23NO4 — CID 114105199

IUPAC4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1OCCC1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H23NO4/c1-4-10-9(6-8-18-10)12(17)14-13(2,3)7-5-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKYRDNOULRHOSOL-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.56
Rot. Bonds6

About 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid

4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114105199) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114105199
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1OCCC1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H23NO4/c1-4-10-9(6-8-18-10)12(17)14-13(2,3)7-5-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyKYRDNOULRHOSOL-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114428891
4-[(2-amino-2-methylbutanoyl)amino]-4-methylpentanoic acid
CID 79811550
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
CID 114164082
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
CID 106228527
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
CID 114104255
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid (CID 114105199) is 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid is CCC1OCCC1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is KYRDNOULRHOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-10-9(6-8-18-10)12(17)14-13(2,3)7-5-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid?
4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114105199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).