(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride

C12H18ClNO2 — CID 66750067

IUPAC(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
SMILESCCN(CC)[C@@H](C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10;/h5-9,11H,3-4H2,1-2H3,(H,14,15);1H/t11-;/m1./s1
InChIKeyUIWPYXNBXRHCMI-RFVHGSKJSA-N
MW243.73 g/mol
LogP2.58
Rot. Bonds5

About (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride (PubChem CID 66750067) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
PubChem CID66750067
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
SMILESCCN(CC)[C@@H](C(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10;/h5-9,11H,3-4H2,1-2H3,(H,14,15);1H/t11-;/m1./s1
InChIKeyUIWPYXNBXRHCMI-RFVHGSKJSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-phenylacetic acid
CID 136550180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride?
The IUPAC name of (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride (CID 66750067) is (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride?
The canonical SMILES for (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride is CCN(CC)[C@@H](C(=O)O)c1ccccc1.Cl.
What is the InChIKey of (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride?
The InChIKey is UIWPYXNBXRHCMI-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-3-13(4-2)11(12(14)15)10-8-6-5-7-9-10;/h5-9,11H,3-4H2,1-2H3,(H,14,15);1H/t11-;/m1./s1.
What are the key properties of (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride?
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 66750067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).