propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate

C10H20N2O3 — CID 88775398

IUPACpropan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate
SMILESCC(C)OC(=O)C(=O)CNC(C)(C)CN
InChIInChI=1S/C10H20N2O3/c1-7(2)15-9(14)8(13)5-12-10(3,4)6-11/h7,12H,5-6,11H2,1-4H3
InChIKeyJSJXTWATDNJQCW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.17
Rot. Bonds6

About propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate

propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate (PubChem CID 88775398) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate
PubChem CID88775398
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namepropan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate
SMILESCC(C)OC(=O)C(=O)CNC(C)(C)CN
InChIInChI=1S/C10H20N2O3/c1-7(2)15-9(14)8(13)5-12-10(3,4)6-11/h7,12H,5-6,11H2,1-4H3
InChIKeyJSJXTWATDNJQCW-UHFFFAOYSA-N
XLogP-0.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-(aminomethyl)-2,6-dimethylheptanoate
CID 106487907
propan-2-yl 5-methyl-2-oxohexanoate
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propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
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methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
CID 63194222
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylpropanamide
CID 81479173
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
propan-2-yl (2S)-3-amino-2-methylpropanoate
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CID 59132044

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate?
The IUPAC name of propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate (CID 88775398) is propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate.
What is the SMILES notation for propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate?
The canonical SMILES for propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate is CC(C)OC(=O)C(=O)CNC(C)(C)CN.
What is the InChIKey of propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate?
The InChIKey is JSJXTWATDNJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)15-9(14)8(13)5-12-10(3,4)6-11/h7,12H,5-6,11H2,1-4H3.
What are the key properties of propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate?
propan-2-yl 3-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate has a molecular weight of 216.28 g/mol, XLogP of -0.17, 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-[(1-amino-2-methylpropan-2-yl)amino]-2-oxopropanoate is sourced from PubChem (CID 88775398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).