4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid

C11H22N2O3 — CID 80539749

IUPAC4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
SMILESCCCC(CN)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-4-9(7-12)10(14)13-6-5-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGBDGZNKSQFMHME-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds8

About 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid

4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid (PubChem CID 80539749) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
PubChem CID80539749
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
SMILESCCCC(CN)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-4-9(7-12)10(14)13-6-5-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGBDGZNKSQFMHME-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
CID 114140198
4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
methyl 2-(aminomethyl)pentanoate
CID 65220226
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(aminomethyl)pentanamide
CID 106175532

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid (CID 80539749) is 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid is CCCC(CN)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid?
The InChIKey is GBDGZNKSQFMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-4-9(7-12)10(14)13-6-5-8(2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid?
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 80539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).