3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid

C10H20N2O3 — CID 65228523

IUPAC3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(CN)C(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)8(4-11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHKWPJRKVDKGZHK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds6

About 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid

3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid (PubChem CID 65228523) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
PubChem CID65228523
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(CN)C(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)8(4-11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyHKWPJRKVDKGZHK-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[[(2S)-3-[[(2S)-2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]methyl]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
CID 23630626
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 65227476
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
2-methyl-3-(2-methylsulfanylpropanoylamino)propanoic acid
CID 115731422
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid (CID 65228523) is 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C(CN)C(C)C)C(=O)O.
What is the InChIKey of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The InChIKey is HKWPJRKVDKGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)8(4-11)9(13)12-5-7(3)10(14)15/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65228523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).