(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid

C15H22N4O2 — CID 142618725

IUPAC(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid
SMILESCC(C)N1CCc2ccc(/C(N)=C(/NN)C(=O)O)cc2C1
InChIInChI=1S/C15H22N4O2/c1-9(2)19-6-5-10-3-4-11(7-12(10)8-19)13(16)14(18-17)15(20)21/h3-4,7,9,18H,5-6,8,16-17H2,1-2H3,(H,20,21)/b14-13-
InChIKeyHTFCDMBEPDEIRB-YPKPFQOOSA-N
MW290.37 g/mol
LogP0.63
Rot. Bonds4

About (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid

(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid (PubChem CID 142618725) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid
PubChem CID142618725
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid
SMILESCC(C)N1CCc2ccc(/C(N)=C(/NN)C(=O)O)cc2C1
InChIInChI=1S/C15H22N4O2/c1-9(2)19-6-5-10-3-4-11(7-12(10)8-19)13(16)14(18-17)15(20)21/h3-4,7,9,18H,5-6,8,16-17H2,1-2H3,(H,20,21)/b14-13-
InChIKeyHTFCDMBEPDEIRB-YPKPFQOOSA-N
XLogP0.63
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-propan-2-yl-3,4-dihydro-1H-isoquinoline-6-carbonyl chloride;hydrochloride
CID 87589000
methyl 2-(1-amino-1-oxopropan-2-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582500
2-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfinate
CID 22958586
ethyl 2-oxo-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetate
CID 117407563
methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82582376
2-[7-(dimethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
CID 110456956
2-[(2R)-2-amino-3,3-dimethylbutanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 103930410
7-butan-2-yl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523545
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 25061941
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
CID 105493357

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid (CID 142618725) is (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid is CC(C)N1CCc2ccc(/C(N)=C(/NN)C(=O)O)cc2C1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid?
The InChIKey is HTFCDMBEPDEIRB-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9(2)19-6-5-10-3-4-11(7-12(10)8-19)13(16)14(18-17)15(20)21/h3-4,7,9,18H,5-6,8,16-17H2,1-2H3,(H,20,21)/b14-13-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid?
(Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid has a molecular weight of 290.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enoic acid is sourced from PubChem (CID 142618725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).