2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

C13H24N2O4 — CID 66256930

IUPAC2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-14-10-8-19-7-9(10)12(16)15(3)11(5-2)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyROYLRJLPNREUEZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.32
Rot. Bonds7

About 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (PubChem CID 66256930) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
PubChem CID66256930
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-14-10-8-19-7-9(10)12(16)15(3)11(5-2)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18)
InChIKeyROYLRJLPNREUEZ-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466
N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254601
2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66256929
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
N-butyl-N-cyclopropyl-4-(propylamino)oxolane-3-carboxamide
CID 66257100
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (CID 66256930) is 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is CCCNC1COCC1C(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The InChIKey is ROYLRJLPNREUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-6-14-10-8-19-7-9(10)12(16)15(3)11(5-2)13(17)18/h9-11,14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66256930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).