2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid

C8H16N4O4 — CID 87306158

IUPAC2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
SMILESCN(CCNC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c1-12(8(15)16)3-2-11-7(14)5(9)4-6(10)13/h5H,2-4,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeySDVLLVMBVNSYAY-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.08
Rot. Bonds6

About 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid

2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid (PubChem CID 87306158) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
PubChem CID87306158
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Name2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
SMILESCN(CCNC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C8H16N4O4/c1-12(8(15)16)3-2-11-7(14)5(9)4-6(10)13/h5H,2-4,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKeySDVLLVMBVNSYAY-UHFFFAOYSA-N
XLogP-2.08
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
4-[(2,4-diamino-4-oxobutanoyl)amino]-2,2-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
CID 146381718
2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid?
The IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid (CID 87306158) is 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid is CN(CCNC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid?
The InChIKey is SDVLLVMBVNSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4/c1-12(8(15)16)3-2-11-7(14)5(9)4-6(10)13/h5H,2-4,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16).
What are the key properties of 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid?
2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid has a molecular weight of 232.24 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid is sourced from PubChem (CID 87306158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).