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

C12H22N2O4 — CID 66255984

IUPAC2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-13-10-7-18-6-9(10)11(15)14(3)8(2)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWPHZYLDREYVQMO-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds6

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

2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (PubChem CID 66255984) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
PubChem CID66255984
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-5-13-10-7-18-6-9(10)11(15)14(3)8(2)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWPHZYLDREYVQMO-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66256930
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66256929
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
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
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]propanoic acid?
The IUPAC name of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (CID 66255984) is 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid is CCCNC1COCC1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The InChIKey is WPHZYLDREYVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-5-13-10-7-18-6-9(10)11(15)14(3)8(2)12(16)17/h8-10,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 6 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]propanoic acid is sourced from PubChem (CID 66255984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).