propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate

C13H24N2O4 — CID 120784836

IUPACpropan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-9(2)19-11(16)3-6-15-13(17)12(14)10-4-7-18-8-5-10/h9-10,12H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyDWLFTHIHOFGZBV-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.20
Rot. Bonds6

About propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate

propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate (PubChem CID 120784836) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
PubChem CID120784836
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namepropan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-9(2)19-11(16)3-6-15-13(17)12(14)10-4-7-18-8-5-10/h9-10,12H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyDWLFTHIHOFGZBV-UHFFFAOYSA-N
XLogP0.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate (CID 120784836) is propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)C(N)C1CCOCC1.
What is the InChIKey of propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate?
The InChIKey is DWLFTHIHOFGZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)19-11(16)3-6-15-13(17)12(14)10-4-7-18-8-5-10/h9-10,12H,3-8,14H2,1-2H3,(H,15,17).
What are the key properties of propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate?
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate is sourced from PubChem (CID 120784836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).