2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid

C12H24N2O3 — CID 81080901

IUPAC2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CC(CC)CN)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-5-10(12(16)17)8-14-11(15)6-9(4-2)7-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWJQITAHUOATPCR-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds9

About 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid

2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid (PubChem CID 81080901) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
PubChem CID81080901
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)CC(CC)CN)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-5-10(12(16)17)8-14-11(15)6-9(4-2)7-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWJQITAHUOATPCR-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-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
3-(aminomethyl)-N-butylpentanamide
CID 81071551
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid (CID 81080901) is 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid is CCCC(CNC(=O)CC(CC)CN)C(=O)O.
What is the InChIKey of 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
The InChIKey is WJQITAHUOATPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-10(12(16)17)8-14-11(15)6-9(4-2)7-13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid?
2-[[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 2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81080901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).