ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate

C10H18N2O5 — CID 101184961

IUPACethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H](C)C(C)=O
InChIInChI=1S/C10H18N2O5/c1-5-16-9(14)11-12(7(3)8(4)13)10(15)17-6-2/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1
InChIKeyAOOQWRSARAPJHB-SSDOTTSWSA-N
MW246.26 g/mol
LogP1.08
Rot. Bonds4

About ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate

ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate (PubChem CID 101184961) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
PubChem CID101184961
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NN(C(=O)OCC)[C@H](C)C(C)=O
InChIInChI=1S/C10H18N2O5/c1-5-16-9(14)11-12(7(3)8(4)13)10(15)17-6-2/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1
InChIKeyAOOQWRSARAPJHB-SSDOTTSWSA-N
XLogP1.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 135056008
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
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ethyl N-(ethoxycarbonylamino)-N-[(E,2R)-5-oxopent-3-en-2-yl]carbamate
CID 101414382
ethyl N-(ethoxycarbonylamino)-N-oct-4-yn-3-ylcarbamate
CID 71507017
ethyl N-(ethoxycarbonylamino)-N-(2-oxopropanoyl)carbamate
CID 87865362
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-(ethoxycarbonylamino)-N-[(E,2R)-1-methylsulfanyl-5-oxopent-3-en-2-yl]carbamate
CID 101414397
ethyl N-[acetyl(methyl)amino]carbamate
CID 175377387
ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
CID 71507971
ethyl 2,2-bis[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-oxobutanoate
CID 101466213
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
5-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-5-phenylpentanoic acid
CID 71507973

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate (CID 101184961) is ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate is CCOC(=O)NN(C(=O)OCC)[C@H](C)C(C)=O.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate?
The InChIKey is AOOQWRSARAPJHB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5-16-9(14)11-12(7(3)8(4)13)10(15)17-6-2/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m1/s1.
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate?
ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate has a molecular weight of 246.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate is sourced from PubChem (CID 101184961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).