methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate

C10H19N3O4 — CID 47307690

IUPACmethyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
SMILESCCCCN(CC(N)=O)C(=O)CNC(=O)OC
InChIInChI=1S/C10H19N3O4/c1-3-4-5-13(7-8(11)14)9(15)6-12-10(16)17-2/h3-7H2,1-2H3,(H2,11,14)(H,12,16)
InChIKeyWPNIATXFNHJRNX-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.54
Rot. Bonds7

About methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate

methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate (PubChem CID 47307690) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
PubChem CID47307690
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Namemethyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
SMILESCCCCN(CC(N)=O)C(=O)CNC(=O)OC
InChIInChI=1S/C10H19N3O4/c1-3-4-5-13(7-8(11)14)9(15)6-12-10(16)17-2/h3-7H2,1-2H3,(H2,11,14)(H,12,16)
InChIKeyWPNIATXFNHJRNX-UHFFFAOYSA-N
XLogP-0.54
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)acetamide
CID 171071718
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
N-(2-amino-2-oxoethyl)-N-butyl-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 86989035
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide
CID 171071740
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide
CID 176551991
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268
methanamine;methyl N-(2-amino-2-oxoethyl)carbamate;propane
CID 144526153
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate (CID 47307690) is methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate is CCCCN(CC(N)=O)C(=O)CNC(=O)OC.
What is the InChIKey of methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate?
The InChIKey is WPNIATXFNHJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-4-5-13(7-8(11)14)9(15)6-12-10(16)17-2/h3-7H2,1-2H3,(H2,11,14)(H,12,16).
What are the key properties of methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate?
methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate has a molecular weight of 245.28 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47307690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).