ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate

C13H24N2O4 — CID 66257122

IUPACethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
SMILESCCCNC1COCC1C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C13H24N2O4/c1-4-6-14-11-8-18-7-10(11)12(16)15-9(3)13(17)19-5-2/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyAZTCPJDPLYNXCR-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.07
Rot. Bonds7

About ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate

ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate (PubChem CID 66257122) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
PubChem CID66257122
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
SMILESCCCNC1COCC1C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C13H24N2O4/c1-4-6-14-11-8-18-7-10(11)12(16)15-9(3)13(17)19-5-2/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyAZTCPJDPLYNXCR-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66255034
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate (CID 66257122) is ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate is CCCNC1COCC1C(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate?
The InChIKey is AZTCPJDPLYNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-6-14-11-8-18-7-10(11)12(16)15-9(3)13(17)19-5-2/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate?
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate is sourced from PubChem (CID 66257122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).