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

C14H26N2O3 — CID 107472588

IUPAC3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)7-10(8-15)13(19)16-11(6-12(17)18)9-4-5-9/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGEHKMZPUNQNHKW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds7

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

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid (PubChem CID 107472588) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
PubChem CID107472588
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid
SMILESCC(C)(C)CC(CN)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)7-10(8-15)13(19)16-11(6-12(17)18)9-4-5-9/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGEHKMZPUNQNHKW-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-methoxybutanoic acid
CID 107472865
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
CID 103019197

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid (CID 107472588) is 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid is CC(C)(C)CC(CN)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid?
The InChIKey is GEHKMZPUNQNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)7-10(8-15)13(19)16-11(6-12(17)18)9-4-5-9/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid?
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3-cyclopropylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 7 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]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 107472588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).