methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

C11H20N2O5 — CID 89413297

IUPACmethyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
SMILESCOC(=O)[C@@H](C(=O)NC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)12-8(14)7(13(4)5)9(15)17-6/h7H,1-6H3,(H,12,14,16)/t7-/m1/s1
InChIKeyDHXHKLGNTWKYOU-SSDOTTSWSA-N
MW260.29 g/mol
LogP0.14
Rot. Bonds3

About methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate (PubChem CID 89413297) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
PubChem CID89413297
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate
SMILESCOC(=O)[C@@H](C(=O)NC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)12-8(14)7(13(4)5)9(15)17-6/h7H,1-6H3,(H,12,14,16)/t7-/m1/s1
InChIKeyDHXHKLGNTWKYOU-SSDOTTSWSA-N
XLogP0.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate 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

tert-butyl N-[2-amino-2-[tert-butyl(dimethyl)silyl]oxyacetyl]carbamate
CID 139606123
tert-butyl N-[(2S)-2-[methoxy(methyl)amino]-4-methylpentanoyl]carbamate
CID 54094501
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
methyl (2S)-3-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54302944
methyl (2S)-2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 155642918
ditert-butyl methyl methanetricarboxylate
CID 45278404
tert-butyl 2,2-bis(dimethylamino)acetate
CID 20512349
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
methyl 2-[[2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-hydroxypropanoate
CID 100992827

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate?
The IUPAC name of methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate (CID 89413297) is methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate.
What is the SMILES notation for methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate?
The canonical SMILES for methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate is COC(=O)[C@@H](C(=O)NC(=O)OC(C)(C)C)N(C)C.
What is the InChIKey of methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate?
The InChIKey is DHXHKLGNTWKYOU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(16)12-8(14)7(13(4)5)9(15)17-6/h7H,1-6H3,(H,12,14,16)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate?
methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate has a molecular weight of 260.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dimethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate is sourced from PubChem (CID 89413297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).