4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid

C10H20N2O4 — CID 107836045

IUPAC4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
SMILESCCC(CN)CC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-7(6-11)5-9(14)12-4-3-8(13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyNBYSOMHDZLGUAP-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds8

About 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid

4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid (PubChem CID 107836045) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
PubChem CID107836045
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
SMILESCCC(CN)CC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-2-7(6-11)5-9(14)12-4-3-8(13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)
InChIKeyNBYSOMHDZLGUAP-UHFFFAOYSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid (CID 107836045) is 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid is CCC(CN)CC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid?
The InChIKey is NBYSOMHDZLGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-7(6-11)5-9(14)12-4-3-8(13)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid?
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).