2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid

C10H19N3O4 — CID 79803537

IUPAC2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-10(5-2,8(15)16)12-6-7(14)13-9(17)11-3/h12H,4-6H2,1-3H3,(H,15,16)(H2,11,13,14,17)
InChIKeyUMKLLWAAMFBMCS-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.32
Rot. Bonds6

About 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid

2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid (PubChem CID 79803537) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
PubChem CID79803537
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)NC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-4-10(5-2,8(15)16)12-6-7(14)13-9(17)11-3/h12H,4-6H2,1-3H3,(H,15,16)(H2,11,13,14,17)
InChIKeyUMKLLWAAMFBMCS-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810348
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79809115
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79804517
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
CID 114987750
2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 79812535
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
CID 79790704
N-(methylcarbamoyl)butanamide
CID 12936929
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631818
2-(cyanomethylamino)-2-ethylbutanoic acid
CID 79810338

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid (CID 79803537) is 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid is CCC(CC)(NCC(=O)NC(=O)NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is UMKLLWAAMFBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-4-10(5-2,8(15)16)12-6-7(14)13-9(17)11-3/h12H,4-6H2,1-3H3,(H,15,16)(H2,11,13,14,17).
What are the key properties of 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid?
2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 79803537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).