2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid

C13H27N3O3 — CID 79803428

IUPAC2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-6-13(7-2,11(17)18)15-12(19)14-8-9-16(5)10(3)4/h10H,6-9H2,1-5H3,(H,17,18)(H2,14,15,19)
InChIKeyYYQYMCKBJGSKJB-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.27
Rot. Bonds8

About 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid

2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid (PubChem CID 79803428) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
PubChem CID79803428
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-6-13(7-2,11(17)18)15-12(19)14-8-9-16(5)10(3)4/h10H,6-9H2,1-5H3,(H,17,18)(H2,14,15,19)
InChIKeyYYQYMCKBJGSKJB-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
2-[(4-amino-4-oxobutyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804642
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
2-[[2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62635691
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
2-ethyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]butanoic acid
CID 79803525
2-(2-but-3-enoxyethylcarbamoylamino)-2-ethylbutanoic acid
CID 106404920
2-ethyl-2-(5-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 79804080
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
CID 79804588

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid (CID 79803428) is 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NCCN(C)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid?
The InChIKey is YYQYMCKBJGSKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-6-13(7-2,11(17)18)15-12(19)14-8-9-16(5)10(3)4/h10H,6-9H2,1-5H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid?
2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid has a molecular weight of 273.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).