6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid

C14H26N2O4 — CID 66257371

IUPAC6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
SMILESCCNC1COCC1C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-15-12-9-20-8-11(12)14(19)16-7-6-10(2)4-5-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMMBWSLJWFDJBAH-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.62
Rot. Bonds9

About 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid

6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid (PubChem CID 66257371) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
PubChem CID66257371
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
SMILESCCNC1COCC1C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-15-12-9-20-8-11(12)14(19)16-7-6-10(2)4-5-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMMBWSLJWFDJBAH-UHFFFAOYSA-N
XLogP0.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
CID 66259127
N-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
CID 66259488
N-(2-cyclopropylpropyl)-4-(ethylamino)oxolane-3-carboxamide
CID 113475270
1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
CID 116588055
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid?
The IUPAC name of 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid (CID 66257371) is 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid is CCNC1COCC1C(=O)NCCC(C)CCC(=O)O.
What is the InChIKey of 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid?
The InChIKey is MMBWSLJWFDJBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-15-12-9-20-8-11(12)14(19)16-7-6-10(2)4-5-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid?
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid is sourced from PubChem (CID 66257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).