(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid

C14H22N2O2 — CID 67530887

IUPAC(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid
SMILESCCCNN[C@@H](Cc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-9-15-16-13(14(17)18)10-12-7-5-11(4-2)6-8-12/h5-8,13,15-16H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDHWGOSDZFWRSSP-ZDUSSCGKSA-N
MW250.34 g/mol
LogP1.75
Rot. Bonds8

About (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid

(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid (PubChem CID 67530887) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid
PubChem CID67530887
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid
SMILESCCCNN[C@@H](Cc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-9-15-16-13(14(17)18)10-12-7-5-11(4-2)6-8-12/h5-8,13,15-16H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyDHWGOSDZFWRSSP-ZDUSSCGKSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
2-[2-(2-chloroethyl)hydrazinyl]-3-phenylpropanoic acid;hydrochloride
CID 174935425
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-(4-ethylanilino)pentanoic acid
CID 83038138
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
ethane;2-[(4-ethylphenyl)methyl]-3,3-dimethylbutanoic acid
CID 171834500
(2S)-2-(hexylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 54571397
2-(ethoxyamino)-3-(4-hydroxyphenyl)propanoic acid
CID 87113831
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid?
The IUPAC name of (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid (CID 67530887) is (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid.
What is the SMILES notation for (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid?
The canonical SMILES for (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid is CCCNN[C@@H](Cc1ccc(CC)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid?
The InChIKey is DHWGOSDZFWRSSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-15-16-13(14(17)18)10-12-7-5-11(4-2)6-8-12/h5-8,13,15-16H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid?
(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid is sourced from PubChem (CID 67530887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).