3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid

C12H24N2O3 — CID 81080106

IUPAC3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CC(CC)CN)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-9(7-13)5-11(15)14-8-10(4-2)6-12(16)17/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEOKONVISUMKTE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds9

About 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid

3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid (PubChem CID 81080106) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
PubChem CID81080106
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CC(CC)CN)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-9(7-13)5-11(15)14-8-10(4-2)6-12(16)17/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEOKONVISUMKTE-UHFFFAOYSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid (CID 81080106) is 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid is CCC(CNC(=O)CC(CC)CN)CC(=O)O.
What is the InChIKey of 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The InChIKey is YEOKONVISUMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-9(7-13)5-11(15)14-8-10(4-2)6-12(16)17/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81080106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).