(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid

C14H17NO2 — CID 42179506

IUPAC(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
SMILESC=CCN(CC=C)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-10-15(11-4-2)13(14(16)17)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2,(H,16,17)/t13-/m0/s1
InChIKeyYQOBHKSAXVWWNZ-ZDUSSCGKSA-N
MW231.30 g/mol
LogP2.49
Rot. Bonds7

About (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid

(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid (PubChem CID 42179506) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
PubChem CID42179506
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
SMILESC=CCN(CC=C)[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-10-15(11-4-2)13(14(16)17)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2,(H,16,17)/t13-/m0/s1
InChIKeyYQOBHKSAXVWWNZ-ZDUSSCGKSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
2-[2-[[carboxy(phenyl)methyl]-hydroxyamino]ethyl-hydroxyamino]-2-phenylacetic acid
CID 140872760
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
2-[benzyl(prop-2-enyl)amino]propanoic acid
CID 119134454
ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
CID 11403533
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid (CID 42179506) is (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid is C=CCN(CC=C)[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid?
The InChIKey is YQOBHKSAXVWWNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-10-15(11-4-2)13(14(16)17)12-8-6-5-7-9-12/h3-9,13H,1-2,10-11H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid?
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid has a molecular weight of 231.30 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 42179506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).