2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid

C18H28N2O5 — CID 175252899

IUPAC2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESNC(CC1CCCCC1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C9H17NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8,11H,5,10H2,(H,12,13);7-8H,1-6,10H2,(H,11,12)/t8-;/m0./s1
InChIKeyXAXANRHLQYEOAW-QRPNPIFTSA-N
MW352.43 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid

2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 175252899) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
PubChem CID175252899
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESNC(CC1CCCCC1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C9H11NO3.C9H17NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8,11H,5,10H2,(H,12,13);7-8H,1-6,10H2,(H,11,12)/t8-;/m0./s1
InChIKeyXAXANRHLQYEOAW-QRPNPIFTSA-N
XLogP1.72
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxycyclohexyl]propanoic acid
CID 70505446
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid (CID 175252899) is 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid is NC(CC1CCCCC1)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is XAXANRHLQYEOAW-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO3.C9H17NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-4,8,11H,5,10H2,(H,12,13);7-8H,1-6,10H2,(H,11,12)/t8-;/m0./s1.
What are the key properties of 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid?
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 352.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 175252899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).