3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid

C11H22N2O3 — CID 107471719

IUPAC3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)6-8(7-12)10(16)13-5-4-9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyVCWBVEALBZBSBU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds6

About 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid (PubChem CID 107471719) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
PubChem CID107471719
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)6-8(7-12)10(16)13-5-4-9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyVCWBVEALBZBSBU-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-methoxybutanoic acid
CID 107472865
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 88757399
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842
(4R)-4-[3-[[(2S)-3-amino-2-(tert-butylamino)propanoyl]amino]propylcarbamoyl]-6,6-dimethylheptanoic acid;methane
CID 157218068
2-[1-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]cyclobutyl]acetic acid
CID 107472478

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid (CID 107471719) is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid is CC(C)(C)CC(CN)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid?
The InChIKey is VCWBVEALBZBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)6-8(7-12)10(16)13-5-4-9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid?
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid is sourced from PubChem (CID 107471719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).