2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid

C13H24N2O4 — CID 66256929

IUPAC2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
SMILESCCCNC1COCC1C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-14-11-9-19-8-10(11)13(18)15(6-4-2)7-12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyJJEVAHCZMAHIBR-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.32
Rot. Bonds8

About 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid

2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid (PubChem CID 66256929) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
PubChem CID66256929
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid
SMILESCCCNC1COCC1C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-3-5-14-11-9-19-8-10(11)13(18)15(6-4-2)7-12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyJJEVAHCZMAHIBR-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic 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-butyl-N-cyclopropyl-4-(propylamino)oxolane-3-carboxamide
CID 66257100
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
N-ethyl-N-(2-ethylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254601
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propyloxolane-3-carboxamide
CID 66259680
N-cyclopentyl-N-(2-hydroxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255005
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66256930
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid (CID 66256929) is 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid is CCCNC1COCC1C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid?
The InChIKey is JJEVAHCZMAHIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-5-14-11-9-19-8-10(11)13(18)15(6-4-2)7-12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid?
2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[4-(propylamino)oxolane-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 66256929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).