2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid

C15H22N2O2 — CID 83982652

IUPAC2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1cccc(CN2CCCC(C(N)C(=O)O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-2-5-12(8-11)9-17-7-3-6-13(10-17)14(16)15(18)19/h2,4-5,8,13-14H,3,6-7,9-10,16H2,1H3,(H,18,19)
InChIKeyNNOYOUCVPNJRAC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid

2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 83982652) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
PubChem CID83982652
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1cccc(CN2CCCC(C(N)C(=O)O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-2-5-12(8-11)9-17-7-3-6-13(10-17)14(16)15(18)19/h2,4-5,8,13-14H,3,6-7,9-10,16H2,1H3,(H,18,19)
InChIKeyNNOYOUCVPNJRAC-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
1-[1-[(3-methylphenyl)methyl]piperidin-3-yl]butan-1-one
CID 83982657
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
3-[1-[(3-bromophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81046962

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid (CID 83982652) is 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid is Cc1cccc(CN2CCCC(C(N)C(=O)O)C2)c1.
What is the InChIKey of 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is NNOYOUCVPNJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-2-5-12(8-11)9-17-7-3-6-13(10-17)14(16)15(18)19/h2,4-5,8,13-14H,3,6-7,9-10,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid?
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 83982652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).