2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid

C15H30N2O3 — CID 115430292

IUPAC2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CC(CN)CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-15(6-2,14(19)20)10-17-13(18)8-12(9-16)7-11(3)4/h11-12H,5-10,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyRYSFBYVYANEUAB-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds10

About 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid

2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 115430292) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID115430292
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)CC(CN)CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-15(6-2,14(19)20)10-17-13(18)8-12(9-16)7-11(3)4/h11-12H,5-10,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyRYSFBYVYANEUAB-UHFFFAOYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
(3S)-3-(aminomethyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylhexanamide
CID 106255431
2-[[3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylbutanoic acid
CID 79798556
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
CID 83110554
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxypentyl)-5-methylhexanamide
CID 113495819
5-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylpentanoic acid
CID 103870685
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid (CID 115430292) is 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)CC(CN)CC(C)C)C(=O)O.
What is the InChIKey of 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is RYSFBYVYANEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-15(6-2,14(19)20)10-17-13(18)8-12(9-16)7-11(3)4/h11-12H,5-10,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115430292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).