3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid

C10H20N2O3 — CID 62833119

IUPAC3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
SMILESCCNC(C)CC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-11-8(3)5-9(13)12-6-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRYBYBQULMVMBDN-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds7

About 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid

3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid (PubChem CID 62833119) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
PubChem CID62833119
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
SMILESCCNC(C)CC(=O)NCC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-11-8(3)5-9(13)12-6-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyRYBYBQULMVMBDN-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491
3-(3-ethylheptanoylamino)-2-methylpropanoic acid
CID 119237585
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid (CID 62833119) is 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid is CCNC(C)CC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid?
The InChIKey is RYBYBQULMVMBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-11-8(3)5-9(13)12-6-7(2)10(14)15/h7-8,11H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid?
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62833119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).