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

C11H22N2O3 — CID 65227476

IUPAC2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(CN)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6(2)8(5-12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyWNVGDMVSNGYKCW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds6

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

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid (PubChem CID 65227476) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
PubChem CID65227476
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(CN)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6(2)8(5-12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyWNVGDMVSNGYKCW-UHFFFAOYSA-N
XLogP0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 107830332
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-phenylacetic acid
CID 65227274
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid
CID 54521285
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid (CID 65227476) is 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid is CC(C)C(CN)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The InChIKey is WNVGDMVSNGYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6(2)8(5-12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid?
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 65227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).