benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate

C19H25NO3 — CID 100937539

IUPACbenzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate
SMILESCC/C(C)=C(\NC(=O)C1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-14(2)17(20-18(21)16-11-7-8-12-16)19(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,20,21)/b17-14-
InChIKeyQYFQUUZRVNTESR-VKAVYKQESA-N
MW315.41 g/mol
LogP3.72
Rot. Bonds6

About benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate

benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate (PubChem CID 100937539) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate
PubChem CID100937539
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namebenzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate
SMILESCC/C(C)=C(\NC(=O)C1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-3-14(2)17(20-18(21)16-11-7-8-12-16)19(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,20,21)/b17-14-
InChIKeyQYFQUUZRVNTESR-VKAVYKQESA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[[(Z)-3-methyl-1-oxo-1-phenylmethoxypent-2-en-2-yl]carbamoyl]-2,5-dihydropyrrole-1-carboxylate
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N-[(E)-1-cyclopropyl-3-oxo-2-phenylmethoxybut-1-enyl]cyclopropanecarboxamide
CID 46844404
benzyl 3-(cyclohexanecarbonylamino)-4-oxopentanoate
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benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
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CID 26878245
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
benzyl 3-ethyl-2-formamidopent-2-enoate
CID 71389094
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
N-benzylcyclopentanecarboxamide
CID 835634
benzyl 4-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 146344524
benzyl 2-cyclohex-3-en-1-yl-2-oxoacetate
CID 67475982
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097

Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate?
The IUPAC name of benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate (CID 100937539) is benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate.
What is the SMILES notation for benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate?
The canonical SMILES for benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate is CC/C(C)=C(\NC(=O)C1CCCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate?
The InChIKey is QYFQUUZRVNTESR-VKAVYKQESA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-14(2)17(20-18(21)16-11-7-8-12-16)19(22)23-13-15-9-5-4-6-10-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,20,21)/b17-14-.
What are the key properties of benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate?
benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate has a molecular weight of 315.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate is sourced from PubChem (CID 100937539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).