(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid

C15H19NO4 — CID 15408414

IUPAC(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
SMILESCC(C)(C)OC(=O)N/C(=C\C(=O)O)Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-
InChIKeyDRZDAAAUCIRRNO-BENRWUELSA-N
MW277.32 g/mol
LogP2.72
Rot. Bonds4

About (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid

(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid (PubChem CID 15408414) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
PubChem CID15408414
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
SMILESCC(C)(C)OC(=O)N/C(=C\C(=O)O)Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-
InChIKeyDRZDAAAUCIRRNO-BENRWUELSA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
CID 102211482
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
CID 100950560
tert-butyl N-[2-methyl-1-[(2-phenylacetyl)amino]prop-1-enyl]carbamate
CID 176957250
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
CID 10981687
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypent-2-enoic acid
CID 66744702
benzyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate
CID 19350662
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)prop-2-enoate
CID 10820472

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid?
The IUPAC name of (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid (CID 15408414) is (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid?
The canonical SMILES for (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid is CC(C)(C)OC(=O)N/C(=C\C(=O)O)Cc1ccccc1.
What is the InChIKey of (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid?
The InChIKey is DRZDAAAUCIRRNO-BENRWUELSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,19)(H,17,18)/b12-10-.
What are the key properties of (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid?
(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid is sourced from PubChem (CID 15408414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).