2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride

C13H20ClNO2 — CID 164518114

IUPAC2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
SMILESCCN(C(C)C)C(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)12(13(15)16)11-8-6-5-7-9-11;/h5-10,12H,4H2,1-3H3,(H,15,16);1H
InChIKeyPLXPSTTUZIIXRO-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.96
Rot. Bonds5

About 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride

2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride (PubChem CID 164518114) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
PubChem CID164518114
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
SMILESCCN(C(C)C)C(C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)12(13(15)16)11-8-6-5-7-9-11;/h5-10,12H,4H2,1-3H3,(H,15,16);1H
InChIKeyPLXPSTTUZIIXRO-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
CID 63573273
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride (CID 164518114) is 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride is CCN(C(C)C)C(C(=O)O)c1ccccc1.Cl.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride?
The InChIKey is PLXPSTTUZIIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)12(13(15)16)11-8-6-5-7-9-11;/h5-10,12H,4H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride?
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 164518114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).