ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate

C10H19NO3 — CID 145065663

IUPACethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate
SMILESCC.CC(C)OC(=O)C(=O)NC1CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-5(2)12-8(11)7(10)9-6-3-4-6;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyDBOCOYJDJULOBZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds2

About ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate

ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate (PubChem CID 145065663) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate
PubChem CID145065663
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate
SMILESCC.CC(C)OC(=O)C(=O)NC1CC1
InChIInChI=1S/C8H13NO3.C2H6/c1-5(2)12-8(11)7(10)9-6-3-4-6;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyDBOCOYJDJULOBZ-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-cyclooctylcarbamate
CID 116653938
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
N-cyclobutyl-N'-propan-2-yloxamide
CID 130668799
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
propan-2-yl 4-(cyclopropylcarbamothioylamino)benzoate
CID 8654514
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
2-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 107903396
(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide
CID 129039558
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
CID 130694028

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate?
The IUPAC name of ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate (CID 145065663) is ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate.
What is the SMILES notation for ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate?
The canonical SMILES for ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate is CC.CC(C)OC(=O)C(=O)NC1CC1.
What is the InChIKey of ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate?
The InChIKey is DBOCOYJDJULOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6/c1-5(2)12-8(11)7(10)9-6-3-4-6;1-2/h5-6H,3-4H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate?
ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 2-(cyclopropylamino)-2-oxoacetate is sourced from PubChem (CID 145065663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).