2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid

C20H38N2O2 — CID 122043256

IUPAC2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O2/c1-5-22(15-19(23)24)18-10-12-21(13-11-18)14-16-6-8-17(9-7-16)20(2,3)4/h16-18H,5-15H2,1-4H3,(H,23,24)
InChIKeyPZOVXIKRWPRVKV-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.71
Rot. Bonds6

About 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid

2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid (PubChem CID 122043256) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
PubChem CID122043256
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O2/c1-5-22(15-19(23)24)18-10-12-21(13-11-18)14-16-6-8-17(9-7-16)20(2,3)4/h16-18H,5-15H2,1-4H3,(H,23,24)
InChIKeyPZOVXIKRWPRVKV-UHFFFAOYSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-(tert-butylamino)-N-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 172511649
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026870
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
1-[(4-tert-butylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 104576017
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
CID 113428540
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid (CID 122043256) is 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid?
The InChIKey is PZOVXIKRWPRVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-5-22(15-19(23)24)18-10-12-21(13-11-18)14-16-6-8-17(9-7-16)20(2,3)4/h16-18H,5-15H2,1-4H3,(H,23,24).
What are the key properties of 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid?
2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid has a molecular weight of 338.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid is sourced from PubChem (CID 122043256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).