4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid

C11H22N2O3 — CID 81073006

IUPAC4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
SMILESCCNC(C)CC(=O)NCC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-9(3)6-10(14)13-7-8(2)5-11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyJKQQGZPIHJVQTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds8

About 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid

4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid (PubChem CID 81073006) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
PubChem CID81073006
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
SMILESCCNC(C)CC(=O)NCC(C)CC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-12-9(3)6-10(14)13-7-8(2)5-11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyJKQQGZPIHJVQTA-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
3-methyl-4-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 81072242
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
4-(4-ethoxybutanoylamino)-3-methylbutanoic acid
CID 81063028
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
3-methyl-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 81064138
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid (CID 81073006) is 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid is CCNC(C)CC(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid?
The InChIKey is JKQQGZPIHJVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-12-9(3)6-10(14)13-7-8(2)5-11(15)16/h8-9,12H,4-7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid?
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81073006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).