4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide

C9H17N3O3 — CID 66249428

IUPAC4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)COCC1N)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-5(7(11)13)12-8(14)9(2)4-15-3-6(9)10/h5-6H,3-4,10H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyXSTJSLAGULEZIJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.66
Rot. Bonds3

About 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 66249428) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID66249428
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1(C)COCC1N)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-5(7(11)13)12-8(14)9(2)4-15-3-6(9)10/h5-6H,3-4,10H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyXSTJSLAGULEZIJ-UHFFFAOYSA-N
XLogP-1.66
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]propanoate
CID 66249249
4-amino-N-(dicyclopropylmethyl)-3-methyloxolane-3-carboxamide
CID 66250852
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66262770
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-methyloxolane-3-carboxamide
CID 79249257
(2S)-4-amino-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-4-oxobutanoic acid
CID 114005176
4-amino-3-methyl-N-(4-methylhexan-2-yl)oxolane-3-carboxamide
CID 66264615
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66250458
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
CID 79236389
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325
4-amino-3-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 113405137
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250933

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide (CID 66249428) is 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide is CC(NC(=O)C1(C)COCC1N)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is XSTJSLAGULEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-5(7(11)13)12-8(14)9(2)4-15-3-6(9)10/h5-6H,3-4,10H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-1-oxopropan-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).