2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid

C15H28N2O3 — CID 107472406

IUPAC2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)CC(CN)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)9-12(10-16)14(20)17-6-4-11(5-7-17)8-13(18)19/h11-12H,4-10,16H2,1-3H3,(H,18,19)
InChIKeyKCKVARYIQWKPGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds5

About 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid

2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid (PubChem CID 107472406) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
PubChem CID107472406
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)CC(CN)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)9-12(10-16)14(20)17-6-4-11(5-7-17)8-13(18)19/h11-12H,4-10,16H2,1-3H3,(H,18,19)
InChIKeyKCKVARYIQWKPGC-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-(aminomethyl)-1-(3-tert-butylpyrrolidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472687
2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-(aminomethyl)-4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 107471862
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
CID 107471510
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid (CID 107472406) is 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid is CC(C)(C)CC(CN)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid?
The InChIKey is KCKVARYIQWKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)9-12(10-16)14(20)17-6-4-11(5-7-17)8-13(18)19/h11-12H,4-10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid?
2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 107472406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).