(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid

C14H19NO3 — CID 151553920

IUPAC(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
SMILESC=CCN(C[C@@H](C)O)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-9-15(10-11(2)16)13(14(17)18)12-7-5-4-6-8-12/h3-8,11,13,16H,1,9-10H2,2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyQBBLSDQKSIJMQG-DGCLKSJQSA-N
MW249.31 g/mol
LogP1.68
Rot. Bonds7

About (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid

(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid (PubChem CID 151553920) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
PubChem CID151553920
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
SMILESC=CCN(C[C@@H](C)O)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-9-15(10-11(2)16)13(14(17)18)12-7-5-4-6-8-12/h3-8,11,13,16H,1,9-10H2,2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyQBBLSDQKSIJMQG-DGCLKSJQSA-N
XLogP1.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
CID 11403533
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
CID 84571475
N-methyl-N-(2-phenylpropyl)but-3-enamide
CID 143446604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid (CID 151553920) is (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid is C=CCN(C[C@@H](C)O)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid?
The InChIKey is QBBLSDQKSIJMQG-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-9-15(10-11(2)16)13(14(17)18)12-7-5-4-6-8-12/h3-8,11,13,16H,1,9-10H2,2H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid?
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid is sourced from PubChem (CID 151553920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).