tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate

C15H24N2O3 — CID 146102177

IUPACtert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate
SMILESC=CC(=O)NC1(C2CCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O3/c1-5-12(18)16-15(8-9-15)11-7-6-10-17(11)13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyOTLNEKVVQMIRJV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate

tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate (PubChem CID 146102177) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate
PubChem CID146102177
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate
SMILESC=CC(=O)NC1(C2CCCN2C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O3/c1-5-12(18)16-15(8-9-15)11-7-6-10-17(11)13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,18)
InChIKeyOTLNEKVVQMIRJV-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
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 2-(1-aminocyclopentyl)pyrrolidine-1-carboxylate
CID 115071770
tert-butyl (2S)-2-[hydroxy-(prop-2-enoylamino)methyl]pyrrolidine-1-carboxylate
CID 15382350
tert-butyl (2R)-2-[1-(hydroxymethyl)cyclopropyl]pyrrolidine-1-carboxylate
CID 156693185
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 99945788
tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate
CID 84708288
tert-butyl 2-[[C,N-bis(ethenyl)carbonimidoyl]carbamoyl]pyrrolidine-1-carboxylate
CID 123959845
tert-butyl (3aR,6aR)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 124703885
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclobutane-1-carboxylic acid
CID 155894489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate (CID 146102177) is tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate is C=CC(=O)NC1(C2CCCN2C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate?
The InChIKey is OTLNEKVVQMIRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-12(18)16-15(8-9-15)11-7-6-10-17(11)13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,16,18).
What are the key properties of tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(prop-2-enoylamino)cyclopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146102177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).