2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid

C21H35NO3 — CID 101244047

IUPAC2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
SMILESCCCCCCCCCCCN(CC(=O)O)[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-13-16-22(17-21(24)25)20(18-23)19-14-11-10-12-15-19/h10-12,14-15,20,23H,2-9,13,16-18H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyWXAFEELCMJOYNA-FQEVSTJZSA-N
MW349.51 g/mol
LogP4.64
Rot. Bonds15

About 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid

2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid (PubChem CID 101244047) has the molecular formula C21H35NO3 and a molecular weight of 349.51 g/mol. Its IUPAC name is 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid.

Molecular Properties

Compound Name2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
PubChem CID101244047
Molecular FormulaC21H35NO3
Molecular Weight349.51 g/mol
Exact Mass349.26
IUPAC Name2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
SMILESCCCCCCCCCCCN(CC(=O)O)[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-13-16-22(17-21(24)25)20(18-23)19-14-11-10-12-15-19/h10-12,14-15,20,23H,2-9,13,16-18H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyWXAFEELCMJOYNA-FQEVSTJZSA-N
XLogP4.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
CID 11741478
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol
CID 54357981
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
CID 65063538
3-[benzyl(octyl)amino]-4-methylpentanoic acid
CID 23067239
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid?
The IUPAC name of 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid (CID 101244047) is 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid.
What is the SMILES notation for 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid?
The canonical SMILES for 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid is CCCCCCCCCCCN(CC(=O)O)[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid?
The InChIKey is WXAFEELCMJOYNA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H35NO3/c1-2-3-4-5-6-7-8-9-13-16-22(17-21(24)25)20(18-23)19-14-11-10-12-15-19/h10-12,14-15,20,23H,2-9,13,16-18H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid?
2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid has a molecular weight of 349.51 g/mol, XLogP of 4.64, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid is sourced from PubChem (CID 101244047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).