2-(2-aminobutanoylamino)-3-methylpentanoic acid

C10H20N2O3 — CID 3625226

IUPAC2-(2-aminobutanoylamino)-3-methylpentanoic acid
SMILESCCC(N)C(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C10H20N2O3/c1-4-6(3)8(10(14)15)12-9(13)7(11)5-2/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyATPZPVLWNRXAJS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds6

About 2-(2-aminobutanoylamino)-3-methylpentanoic acid

2-(2-aminobutanoylamino)-3-methylpentanoic acid (PubChem CID 3625226) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-aminobutanoylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-aminobutanoylamino)-3-methylpentanoic acid
PubChem CID3625226
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(2-aminobutanoylamino)-3-methylpentanoic acid
SMILESCCC(N)C(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C10H20N2O3/c1-4-6(3)8(10(14)15)12-9(13)7(11)5-2/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyATPZPVLWNRXAJS-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18258264
(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-methylpentanoic acid
CID 107144854
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 18224161
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid
CID 61158846
(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid
CID 39260809
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 22706407
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 22658787
2-[(3-amino-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 62669281

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutanoylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(2-aminobutanoylamino)-3-methylpentanoic acid (CID 3625226) is 2-(2-aminobutanoylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2-aminobutanoylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(2-aminobutanoylamino)-3-methylpentanoic acid is CCC(N)C(=O)NC(C(=O)O)C(C)CC.
What is the InChIKey of 2-(2-aminobutanoylamino)-3-methylpentanoic acid?
The InChIKey is ATPZPVLWNRXAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-6(3)8(10(14)15)12-9(13)7(11)5-2/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-aminobutanoylamino)-3-methylpentanoic acid?
2-(2-aminobutanoylamino)-3-methylpentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutanoylamino)-3-methylpentanoic acid is sourced from PubChem (CID 3625226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).