2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride

C13H26ClNO2 — CID 70289577

IUPAC2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
SMILESCC(C)(C)C1CCC(C(C)(N)C(=O)O)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-12(2,3)9-5-7-10(8-6-9)13(4,14)11(15)16;/h9-10H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyYJWUGWQNDFYKNB-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.06
Rot. Bonds2

About 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride

2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride (PubChem CID 70289577) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
PubChem CID70289577
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
SMILESCC(C)(C)C1CCC(C(C)(N)C(=O)O)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-12(2,3)9-5-7-10(8-6-9)13(4,14)11(15)16;/h9-10H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyYJWUGWQNDFYKNB-UHFFFAOYSA-N
XLogP3.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
CID 83695508
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
2-amino-2-cyclopropylhex-5-yn-3-one
CID 116558356
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
CID 116558426
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
acetic acid;tert-butylcyclohexane
CID 69013500
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride (CID 70289577) is 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride is CC(C)(C)C1CCC(C(C)(N)C(=O)O)CC1.Cl.
What is the InChIKey of 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride?
The InChIKey is YJWUGWQNDFYKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.ClH/c1-12(2,3)9-5-7-10(8-6-9)13(4,14)11(15)16;/h9-10H,5-8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride?
2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride is sourced from PubChem (CID 70289577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).