tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate

C14H23N3O5 — CID 173049218

IUPACtert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C(=O)C(=O)N(CC=O)C1CCCC1
InChIInChI=1S/C14H23N3O5/c1-14(2,3)22-13(21)17(15)12(20)11(19)16(8-9-18)10-6-4-5-7-10/h9-10H,4-8,15H2,1-3H3
InChIKeyWCMJAFIFBSLLEH-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.59
Rot. Bonds3

About tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate

tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate (PubChem CID 173049218) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate
PubChem CID173049218
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Nametert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate
SMILESCC(C)(C)OC(=O)N(N)C(=O)C(=O)N(CC=O)C1CCCC1
InChIInChI=1S/C14H23N3O5/c1-14(2,3)22-13(21)17(15)12(20)11(19)16(8-9-18)10-6-4-5-7-10/h9-10H,4-8,15H2,1-3H3
InChIKeyWCMJAFIFBSLLEH-UHFFFAOYSA-N
XLogP0.59
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
2-amino-N-cyclobutyl-N-(2-oxoethyl)acetamide
CID 54436193
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
tert-butyl N-cyclohexyl-N-[(E)-3-oxoprop-1-enyl]carbamate
CID 141158780
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
tert-butyl N-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(2-oxoethyl)carbamate
CID 166486409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate (CID 173049218) is tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate is CC(C)(C)OC(=O)N(N)C(=O)C(=O)N(CC=O)C1CCCC1.
What is the InChIKey of tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate?
The InChIKey is WCMJAFIFBSLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-14(2,3)22-13(21)17(15)12(20)11(19)16(8-9-18)10-6-4-5-7-10/h9-10H,4-8,15H2,1-3H3.
What are the key properties of tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate?
tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate has a molecular weight of 313.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate is sourced from PubChem (CID 173049218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).