2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid

C14H28N2O3 — CID 107472290

IUPAC2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-6-10(13(18)19)9-16-12(17)11(8-15)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyLUHFPRUWPIZPOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.61
Rot. Bonds8

About 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid

2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid (PubChem CID 107472290) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
PubChem CID107472290
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-6-10(13(18)19)9-16-12(17)11(8-15)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyLUHFPRUWPIZPOX-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
CID 103309212
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-methoxybutanoic acid
CID 107472865
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid (CID 107472290) is 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)C(CN)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid?
The InChIKey is LUHFPRUWPIZPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-6-10(13(18)19)9-16-12(17)11(8-15)7-14(2,3)4/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid?
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 107472290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).