ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate

C16H26N2O4 — CID 163695860

IUPACethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate
SMILESCCOC(=O)C(C(C)=O)[C@@H](C)NNC1C=CC=C1[C@@H](C)OC
InChIInChI=1S/C16H26N2O4/c1-6-22-16(20)15(11(3)19)10(2)17-18-14-9-7-8-13(14)12(4)21-5/h7-10,12,14-15,17-18H,6H2,1-5H3/t10-,12-,14?,15?/m1/s1
InChIKeyJWWWDNBKMWUQSH-FCLXSHKASA-N
MW310.39 g/mol
LogP1.14
Rot. Bonds9

About ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate

ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate (PubChem CID 163695860) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate.

Molecular Properties

Compound Nameethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate
PubChem CID163695860
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate
SMILESCCOC(=O)C(C(C)=O)[C@@H](C)NNC1C=CC=C1[C@@H](C)OC
InChIInChI=1S/C16H26N2O4/c1-6-22-16(20)15(11(3)19)10(2)17-18-14-9-7-8-13(14)12(4)21-5/h7-10,12,14-15,17-18H,6H2,1-5H3/t10-,12-,14?,15?/m1/s1
InChIKeyJWWWDNBKMWUQSH-FCLXSHKASA-N
XLogP1.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate with MolForge

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Related Compounds

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CID 79616486
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
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ethyl 2-acetyl-3-(4-fluorophenyl)butanoate
CID 18370888
sodium;ethyl 2-methyl-3-oxobutanoate;hydride
CID 173323934
ethyl (2S,3R)-2-acetyl-4-methyl-3-(trimethylsilyloxyamino)hexanoate
CID 25187938
diethyl 2-acetyl-3-[N-(benzenecarbonothioylamino)-C-methylcarbonimidoyl]butanedioate
CID 171138434
ethyl (E,3R)-2-acetyl-3-methyl-6-oxo-6-[[(1S)-1-phenylethyl]amino]hex-4-enoate
CID 15360336
ethyl 2-acetyl-3-(2-methoxyphenyl)-4-nitrobutanoate
CID 25228165
ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]butanoate
CID 102373019
2-ethoxycarbonyl-3-methylpentanoic acid
CID 53414267
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate?
The IUPAC name of ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate (CID 163695860) is ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate.
What is the SMILES notation for ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate?
The canonical SMILES for ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate is CCOC(=O)C(C(C)=O)[C@@H](C)NNC1C=CC=C1[C@@H](C)OC.
What is the InChIKey of ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate?
The InChIKey is JWWWDNBKMWUQSH-FCLXSHKASA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-22-16(20)15(11(3)19)10(2)17-18-14-9-7-8-13(14)12(4)21-5/h7-10,12,14-15,17-18H,6H2,1-5H3/t10-,12-,14?,15?/m1/s1.
What are the key properties of ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate?
ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate has a molecular weight of 310.39 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2-acetyl-3-[2-[2-[(1R)-1-methoxyethyl]cyclopenta-2,4-dien-1-yl]hydrazinyl]butanoate is sourced from PubChem (CID 163695860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).