(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid

C13H25NO2 — CID 104941123

IUPAC(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
SMILESCC(C)(C)C1CCC([C@H](N)CC(=O)O)CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h9-11H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-/m1/s1
InChIKeyXPUHGXSYXVHANI-VQXHTEKXSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds3

About (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid

(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid (PubChem CID 104941123) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
PubChem CID104941123
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
SMILESCC(C)(C)C1CCC([C@H](N)CC(=O)O)CC1
InChIInChI=1S/C13H25NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h9-11H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-/m1/s1
InChIKeyXPUHGXSYXVHANI-VQXHTEKXSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
CID 104576095
3-(4-tert-butylcyclohexyl)-4,4,4-trifluorobutanoic acid
CID 104575942
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
3-amino-1,3-dicyclopropylpropan-1-one
CID 116608894
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
CID 104576070
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
3-(4-tert-butylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104575616
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid (CID 104941123) is (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid is CC(C)(C)C1CCC([C@H](N)CC(=O)O)CC1.
What is the InChIKey of (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid?
The InChIKey is XPUHGXSYXVHANI-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h9-11H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid?
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid is sourced from PubChem (CID 104941123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).